CID 21965025

Perfluorodocosanoic acid

Structural Information

Molecular Formula
C22HF43O2
SMILES
C(=O)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C22HF43O2/c23-2(24,1(66)67)3(25,26)4(27,28)5(29,30)6(31,32)7(33,34)8(35,36)9(37,38)10(39,40)11(41,42)12(43,44)13(45,46)14(47,48)15(49,50)16(51,52)17(53,54)18(55,56)19(57,58)20(59,60)21(61,62)22(63,64)65/h(H,66,67)
InChIKey
LBNMRSDCSDGPPN-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,22-tritetracontafluorodocosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

1113.929 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1114.9363 152.5
[M+Na]+ 1136.9182 152.5
[M+NH4]+ 1131.9628 152.5
[M+K]+ 1152.8922 152.5
[M-H]- 1112.9217 152.5
[M+Na-2H]- 1134.9037 152.5
[M]+ 1113.9285 152.5
[M]- 1113.9295 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe