CID 10330705

2,3-dichloro-4-fluorobenzoic acid

Structural Information

Molecular Formula
C7H3Cl2FO2
SMILES
C1=CC(=C(C(=C1C(=O)O)Cl)Cl)F
InChI
InChI=1S/C7H3Cl2FO2/c8-5-3(7(11)12)1-2-4(10)6(5)9/h1-2H,(H,11,12)
InChIKey
KPFXMYOQAANDKH-UHFFFAOYSA-N
Compound name
2,3-dichloro-4-fluorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
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

No literature data available for this compound.

Patent stripe

patents stripe