CID 726975

Methyl 3,5-dibromo-4-hydroxybenzoate

Structural Information

Molecular Formula

C₈H₆Br₂O₃

SMILES

COC(=O)C1=CC(=C(C(=C1)Br)O)Br

InChI

InChI=1S/C8H6Br2O3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3

InChIKey

NVGJGYZKXBLIKY-UHFFFAOYSA-N

Compound name

methyl 3,5-dibromo-4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 194
Patents: 307.86838 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.87566	147.5
[M+Na]+	330.85760	142.5
[M+NH4]+	325.90220	148.9
[M+K]+	346.83154	149.6
[M-H]-	306.86110	147.5
[M+Na-2H]-	328.84305	148.4
[M]+	307.86783	145.6
[M]-	307.86893	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe