CID 676739

184473-59-4

Structural Information

Molecular Formula
C10H11BrO4
SMILES
COC1=CC(=C(C=C1CC(=O)O)OC)Br
InChI
InChI=1S/C10H11BrO4/c1-14-8-5-7(11)9(15-2)3-6(8)4-10(12)13/h3,5H,4H2,1-2H3,(H,12,13)
InChIKey
XXOYRLPGAQGLTR-UHFFFAOYSA-N
Compound name
2-(4-bromo-2,5-dimethoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

273.98407 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99135 148.4
[M+Na]+ 296.97329 160.2
[M-H]- 272.97679 153.8
[M+NH4]+ 292.01789 168.0
[M+K]+ 312.94723 150.0
[M+H-H2O]+ 256.98133 148.2
[M+HCOO]- 318.98227 168.5
[M+CH3COO]- 332.99792 193.2
[M+Na-2H]- 294.95874 153.3
[M]+ 273.98352 170.5
[M]- 273.98462 170.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe