CID 9877717

2-(4-chlorophenyl)-2,2-difluoroacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

263
Patents

205.99461 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00189 134.3
[M+Na]+ 228.98383 143.9
[M-H]- 204.98733 134.5
[M+NH4]+ 224.02843 153.5
[M+K]+ 244.95777 139.8
[M+H-H2O]+ 188.99187 128.7
[M+HCOO]- 250.99281 149.2
[M+CH3COO]- 265.00846 180.4
[M+Na-2H]- 226.96928 139.9
[M]+ 205.99406 133.2
[M]- 205.99516 133.2
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

patents stripe