CID 13680299

2,2-dichloro-3,3,3-trifluoropropionic acid

Structural Information

Molecular Formula
C3HCl2F3O2
SMILES
C(=O)(C(C(F)(F)F)(Cl)Cl)O
InChI
InChI=1S/C3HCl2F3O2/c4-2(5,1(9)10)3(6,7)8/h(H,9,10)
InChIKey
OEOQSGPFZFSHBS-UHFFFAOYSA-N
Compound name
2,2-dichloro-3,3,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.93057 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.93785 124.4
[M+Na]+ 218.91979 134.6
[M-H]- 194.92329 119.9
[M+NH4]+ 213.96439 144.4
[M+K]+ 234.89373 130.7
[M+H-H2O]+ 178.92783 120.8
[M+HCOO]- 240.92877 131.9
[M+CH3COO]- 254.94442 176.5
[M+Na-2H]- 216.90524 130.4
[M]+ 195.93002 122.3
[M]- 195.93112 122.3
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