CID 17763196

5:2 fluorotelomer carboxylic acid

Structural Information

Molecular Formula
C7H3F11O2
SMILES
C(C(=O)O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H3F11O2/c8-3(9,1-2(19)20)4(10,11)5(12,13)6(14,15)7(16,17)18/h1H2,(H,19,20)
InChIKey
KDHKNZMUAYFSHV-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

327.99573 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00301 156.1
[M+Na]+ 350.98495 164.9
[M-H]- 326.98845 142.6
[M+NH4]+ 346.02955 168.4
[M+K]+ 366.95889 162.3
[M+H-H2O]+ 310.99299 144.4
[M+HCOO]- 372.99393 158.4
[M+CH3COO]- 387.00958 205.3
[M+Na-2H]- 348.97040 159.2
[M]+ 327.99518 139.0
[M]- 327.99628 139.0
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