CID 260162

3,5,6-trichloroperfluorohexanoic acid

Structural Information

Molecular Formula
C6HCl3F8O2
SMILES
C(=O)(C(C(C(C(C(F)(F)Cl)(F)Cl)(F)F)(F)Cl)(F)F)O
InChI
InChI=1S/C6HCl3F8O2/c7-3(12,2(10,11)1(18)19)5(14,15)4(8,13)6(9,16)17/h(H,18,19)
InChIKey
ANRGSWRBGXZQLY-UHFFFAOYSA-N
Compound name
3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

361.89145 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.89873 149.5
[M+Na]+ 384.88067 159.4
[M-H]- 360.88417 139.2
[M+NH4]+ 379.92527 162.5
[M+K]+ 400.85461 153.4
[M+H-H2O]+ 344.88871 142.5
[M+HCOO]- 406.88965 142.3
[M+CH3COO]- 420.90530 206.8
[M+Na-2H]- 382.86612 154.0
[M]+ 361.89090 140.8
[M]- 361.89200 140.8
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