CID 73553479

2-chloro-6-fluoro-3-formylbenzoic acid

Structural Information

Molecular Formula
C8H4ClFO3
SMILES
C1=CC(=C(C(=C1C=O)Cl)C(=O)O)F
InChI
InChI=1S/C8H4ClFO3/c9-7-4(3-11)1-2-5(10)6(7)8(12)13/h1-3H,(H,12,13)
InChIKey
WLGMLSAYGOYIFK-UHFFFAOYSA-N
Compound name
2-chloro-6-fluoro-3-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.9833 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.99058 135.2
[M+Na]+ 224.97252 148.0
[M+NH4]+ 220.01712 142.2
[M+K]+ 240.94646 142.6
[M-H]- 200.97602 134.5
[M+Na-2H]- 222.95797 140.4
[M]+ 201.98275 136.8
[M]- 201.98385 136.8
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