CID 2736537

5-chloro-2-fluorobenzoic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

435
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 126.7
[M+Na]+ 196.97761 137.2
[M-H]- 172.98111 128.5
[M+NH4]+ 192.02221 147.5
[M+K]+ 212.95155 133.4
[M+H-H2O]+ 156.98565 122.1
[M+HCOO]- 218.98659 144.6
[M+CH3COO]- 233.00224 175.5
[M+Na-2H]- 194.96306 132.0
[M]+ 173.98784 127.2
[M]- 173.98894 127.2
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