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

21
Patents

214.00328 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.010556 137.4
[M+Na]+ 236.992498 148.2
[M-H]- 212.996004 140.8
[M+NH4]+ 232.037103 157.0
[M+K]+ 252.966438 145.0
[M+H-H2O]+ 197.000540 133.4
[M+HCOO]- 259.001481 156.4
[M+CH3COO]- 273.017131 182.7
[M+Na-2H]- 234.977946 141.7
[M]+ 214.00273142 142.4
[M]- 214.00382858 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