CID 16217459

5-bromo-2-hydroxy-4-methoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

245.95277 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.96005 140.2
[M+Na]+ 268.94199 152.3
[M-H]- 244.94549 144.6
[M+NH4]+ 263.98659 160.1
[M+K]+ 284.91593 141.7
[M+H-H2O]+ 228.95003 140.5
[M+HCOO]- 290.95097 159.5
[M+CH3COO]- 304.96662 185.3
[M+Na-2H]- 266.92744 145.6
[M]+ 245.95222 159.8
[M]- 245.95332 159.8
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