CID 2736536

4-chloro-3-fluorobenzoic acid

Structural Information

Molecular Formula
C7H4ClFO2
SMILES
C1=CC(=C(C=C1C(=O)O)F)Cl
InChI
InChI=1S/C7H4ClFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey
QPIBHIXKUQKNFP-UHFFFAOYSA-N
Compound name
4-chloro-3-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

683
Patents

173.98839 Da
Monoisotopic Mass

2.9
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

literature stripe

Patent stripe

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