CID 105751

Methyl 5-chloro-2,4-dihydroxybenzoate

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

92
Patents

202.00328 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.010556 134.8
[M+Na]+ 224.992498 145.3
[M-H]- 200.996004 136.9
[M+NH4]+ 220.037103 154.2
[M+K]+ 240.966438 142.0
[M+H-H2O]+ 185.000540 131.2
[M+HCOO]- 247.001481 152.4
[M+CH3COO]- 261.017131 178.1
[M+Na-2H]- 222.977946 139.1
[M]+ 202.00273142 138.2
[M]- 202.00382858 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