CID 99152

4-chloro-2-fluorobenzoic acid

Structural Information

Molecular Formula
C7H4ClFO2
SMILES
C1=CC(=C(C=C1Cl)F)C(=O)O
InChI
InChI=1S/C7H4ClFO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChIKey
ZLPXBWMVZANJJQ-UHFFFAOYSA-N
Compound name
4-chloro-2-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

701
Patents

173.98839 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.99567 128.6
[M+Na]+ 196.97761 141.6
[M+NH4]+ 192.02221 136.7
[M+K]+ 212.95155 135.8
[M-H]- 172.98111 128.6
[M+Na-2H]- 194.96306 134.9
[M]+ 173.98784 130.6
[M]- 173.98894 130.6
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