CID 10994425

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid

Structural Information

Molecular Formula
C10H3F17O2
SMILES
C(C(=O)O)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
InChI
InChI=1S/C10H3F17O2/c11-3(12,1-2(28)29)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H2,(H,28,29)
InChIKey
XTBXSCIWOVSSGB-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

57
Patents

477.98615 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.993426 160.9
[M+Na]+ 500.975368 166.3
[M-H]- 476.978874 168.4
[M+NH4]+ 496.019973 169.8
[M+K]+ 516.949308 174.1
[M+H-H2O]+ 460.983410 150.5
[M+HCOO]- 522.984351 179.1
[M+CH3COO]- 537.000001 231.9
[M+Na-2H]- 498.960816 160.6
[M]+ 477.98560142 159.1
[M]- 477.98669858 159.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe