CID 105751

Methyl 5-chloro-4-hydroxysalicylate

Structural Information

Molecular Formula
C8H7ClO4
SMILES
COC(=O)C1=CC(=C(C=C1O)O)Cl
InChI
InChI=1S/C8H7ClO4/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3,10-11H,1H3
InChIKey
FWVVYIBOMRGUOT-UHFFFAOYSA-N
Compound name
methyl 5-chloro-2,4-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

202.00328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.01056 134.8
[M+Na]+ 224.99250 145.3
[M-H]- 200.99600 136.9
[M+NH4]+ 220.03710 154.2
[M+K]+ 240.96644 142.0
[M+H-H2O]+ 185.00054 131.2
[M+HCOO]- 247.00148 152.4
[M+CH3COO]- 261.01713 178.1
[M+Na-2H]- 222.97795 139.1
[M]+ 202.00273 138.2
[M]- 202.00383 138.2
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