CID 10397503

3-chloro-2-formylbenzoic acid

Structural Information

Molecular Formula
C8H5ClO3
SMILES
C1=CC(=C(C(=C1)Cl)C=O)C(=O)O
InChI
InChI=1S/C8H5ClO3/c9-7-3-1-2-5(8(11)12)6(7)4-10/h1-4H,(H,11,12)
InChIKey
OJIYUFAIWHJJNL-UHFFFAOYSA-N
Compound name
3-chloro-2-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

183.99272 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.999996 130.7
[M+Na]+ 206.981938 141.1
[M-H]- 182.985444 133.9
[M+NH4]+ 202.026543 151.1
[M+K]+ 222.955878 137.4
[M+H-H2O]+ 166.989980 126.8
[M+HCOO]- 228.990921 149.8
[M+CH3COO]- 243.006571 177.0
[M+Na-2H]- 204.967386 136.2
[M]+ 183.99217142 133.5
[M]- 183.99326858 133.5
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