CID 19788166

3-chloro-5-formylbenzoic acid

Structural Information

Molecular Formula
C8H5ClO3
SMILES
C1=C(C=C(C=C1C(=O)O)Cl)C=O
InChI
InChI=1S/C8H5ClO3/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-4H,(H,11,12)
InChIKey
LWVHCYUHVMWJLJ-UHFFFAOYSA-N
Compound name
3-chloro-5-formylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

183.99272 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00000 132.3
[M+Na]+ 206.98194 145.9
[M+NH4]+ 202.02654 140.3
[M+K]+ 222.95588 140.1
[M-H]- 182.98544 133.2
[M+Na-2H]- 204.96739 138.6
[M]+ 183.99217 134.6
[M]- 183.99327 134.6
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