CID 13146779

Methyl 5-chloro-3-formyl-2-hydroxybenzoate

Structural Information

Molecular Formula
C9H7ClO4
SMILES
COC(=O)C1=CC(=CC(=C1O)C=O)Cl
InChI
InChI=1S/C9H7ClO4/c1-14-9(13)7-3-6(10)2-5(4-11)8(7)12/h2-4,12H,1H3
InChIKey
BKMPCMXOQXGTJN-UHFFFAOYSA-N
Compound name
methyl 5-chloro-3-formyl-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

214.00328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.01056 137.4
[M+Na]+ 236.99250 148.2
[M-H]- 212.99600 140.8
[M+NH4]+ 232.03710 157.0
[M+K]+ 252.96644 145.0
[M+H-H2O]+ 197.00054 133.4
[M+HCOO]- 259.00148 156.4
[M+CH3COO]- 273.01713 182.7
[M+Na-2H]- 234.97795 141.7
[M]+ 214.00273 142.4
[M]- 214.00383 142.4
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