CID 139595673

2-hydrido-perfluoropentadecanoic acid

Structural Information

Molecular Formula
C15H2F28O2
SMILES
C(C(=O)O)(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
InChI
InChI=1S/C15H2F28O2/c16-1(2(44)45)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)43/h1H,(H,44,45)
InChIKey
JWXQUWZCZDZDFW-UHFFFAOYSA-N
Compound name
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-octacosafluoropentadecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

745.96075 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.96803 205.4
[M+Na]+ 768.94997 208.3
[M-H]- 744.95347 218.4
[M+NH4]+ 763.99457 218.2
[M+K]+ 784.92391 223.2
[M+H-H2O]+ 728.95801 192.4
[M+HCOO]- 790.95895 218.8
[M+CH3COO]- 804.97460 264.8
[M+Na-2H]- 766.93542 207.1
[M]+ 745.96020 202.3
[M]- 745.96130 202.3
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

No patent data available for this compound.