CID 122163319

Methyl 4-bromo-5-chloro-2-hydroxybenzoate

Structural Information

Molecular Formula
C8H6BrClO3
SMILES
COC(=O)C1=CC(=C(C=C1O)Br)Cl
InChI
InChI=1S/C8H6BrClO3/c1-13-8(12)4-2-6(10)5(9)3-7(4)11/h2-3,11H,1H3
InChIKey
HBLLQAAMTGHSNF-UHFFFAOYSA-N
Compound name
methyl 4-bromo-5-chloro-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.91888 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.92616 141.0
[M+Na]+ 286.90810 155.0
[M-H]- 262.91160 146.9
[M+NH4]+ 281.95270 162.1
[M+K]+ 302.88204 142.7
[M+H-H2O]+ 246.91614 142.6
[M+HCOO]- 308.91708 157.4
[M+CH3COO]- 322.93273 188.5
[M+Na-2H]- 284.89355 146.8
[M]+ 263.91833 163.0
[M]- 263.91943 163.0
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

No patent data available for this compound.