CID 56776448

4-(chlorodifluoromethyl)benzoic acid

Structural Information

Molecular Formula
C8H5ClF2O2
SMILES
C1=CC(=CC=C1C(=O)O)C(F)(F)Cl
InChI
InChI=1S/C8H5ClF2O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey
SQWZPCPYWCYVDS-UHFFFAOYSA-N
Compound name
4-[chloro(difluoro)methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.99461 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00189 138.2
[M+Na]+ 228.98383 149.0
[M+NH4]+ 224.02843 144.8
[M+K]+ 244.95777 144.2
[M-H]- 204.98733 135.9
[M+Na-2H]- 226.96928 143.3
[M]+ 205.99406 139.1
[M]- 205.99516 139.1
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.