CID 688138

2,4-dichloro-5-fluorobenzoic acid

Structural Information

Molecular Formula
C7H3Cl2FO2
SMILES
C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O
InChI
InChI=1S/C7H3Cl2FO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey
KZCWJHUTTSVCRO-UHFFFAOYSA-N
Compound name
2,4-dichloro-5-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

325
Patents

207.94942 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.95670 130.9
[M+Na]+ 230.93864 142.7
[M-H]- 206.94214 132.4
[M+NH4]+ 225.98324 151.0
[M+K]+ 246.91258 137.5
[M+H-H2O]+ 190.94668 127.4
[M+HCOO]- 252.94762 143.7
[M+CH3COO]- 266.96327 181.5
[M+Na-2H]- 228.92409 135.0
[M]+ 207.94887 132.9
[M]- 207.94997 132.9
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