CID 643392

3,5-dibromo-2-methoxybenzoic acid

Structural Information

Molecular Formula
C8H6Br2O3
SMILES
COC1=C(C=C(C=C1Br)Br)C(=O)O
InChI
InChI=1S/C8H6Br2O3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChIKey
GDGFGZWIQSUSAX-UHFFFAOYSA-N
Compound name
3,5-dibromo-2-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

307.86838 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.87566 139.8
[M+Na]+ 330.85760 151.1
[M-H]- 306.86110 145.9
[M+NH4]+ 325.90220 158.2
[M+K]+ 346.83154 136.0
[M+H-H2O]+ 290.86564 147.7
[M+HCOO]- 352.86658 155.1
[M+CH3COO]- 366.88223 202.9
[M+Na-2H]- 328.84305 145.6
[M]+ 307.86783 174.8
[M]- 307.86893 174.8
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

No patent data available for this compound.