CID 11117881

2-bromo-6-methoxybenzoic acid

Structural Information

Molecular Formula
C8H7BrO3
SMILES
COC1=C(C(=CC=C1)Br)C(=O)O
InChI
InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
BNYFDICJYCBPRW-UHFFFAOYSA-N
Compound name
2-bromo-6-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

229.95786 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.965136 137.5
[M+Na]+ 252.947078 149.5
[M-H]- 228.950584 143.0
[M+NH4]+ 247.991683 158.6
[M+K]+ 268.921018 139.3
[M+H-H2O]+ 212.955120 137.9
[M+HCOO]- 274.956061 158.2
[M+CH3COO]- 288.971711 184.5
[M+Na-2H]- 250.932526 144.1
[M]+ 229.95731142 157.3
[M]- 229.95840858 157.3
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