CID 22889353

2-(4-bromo-2,6-dimethylphenyl)acetic acid

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC1=CC(=CC(=C1CC(=O)O)C)Br
InChI
InChI=1S/C10H11BrO2/c1-6-3-8(11)4-7(2)9(6)5-10(12)13/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
ARQKHJYNMJGZET-UHFFFAOYSA-N
Compound name
2-(4-bromo-2,6-dimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

241.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 143.2
[M+Na]+ 264.98347 155.4
[M-H]- 240.98697 148.8
[M+NH4]+ 260.02807 164.3
[M+K]+ 280.95741 144.2
[M+H-H2O]+ 224.99151 143.7
[M+HCOO]- 286.99245 163.0
[M+CH3COO]- 301.00810 189.3
[M+Na-2H]- 262.96892 148.2
[M]+ 241.99370 162.7
[M]- 241.99480 162.7
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