CID 80612

3-bromo-4-hydroxy-5-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7BrO4
SMILES
COC1=C(C(=CC(=C1)C(=O)O)Br)O
InChI
InChI=1S/C8H7BrO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)
InChIKey
FGOVBTMEPVEFCJ-UHFFFAOYSA-N
Compound name
3-bromo-4-hydroxy-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

245.95277 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96005 141.6
[M+Na]+ 268.94199 144.1
[M+NH4]+ 263.98659 144.9
[M+K]+ 284.91593 146.1
[M-H]- 244.94549 140.3
[M+Na-2H]- 266.92744 143.3
[M]+ 245.95222 140.2
[M]- 245.95332 140.2
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