CID 50882990

3-bromo-2-methoxy-4,5-dimethylbenzoic acid

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CC1=CC(=C(C(=C1C)Br)OC)C(=O)O
InChI
InChI=1S/C10H11BrO3/c1-5-4-7(10(12)13)9(14-3)8(11)6(5)2/h4H,1-3H3,(H,12,13)
InChIKey
ZOFXLYROINAVAZ-UHFFFAOYSA-N
Compound name
3-bromo-2-methoxy-4,5-dimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.98917 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 144.8
[M+Na]+ 280.978388 157.7
[M-H]- 256.981894 150.7
[M+NH4]+ 276.022993 165.5
[M+K]+ 296.952328 147.0
[M+H-H2O]+ 240.986430 145.2
[M+HCOO]- 302.987371 164.8
[M+CH3COO]- 317.003021 192.4
[M+Na-2H]- 278.963836 149.2
[M]+ 257.98862142 166.0
[M]- 257.98971858 166.0
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.