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

56
Patents

241.99425 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.001526 143.2
[M+Na]+ 264.983468 155.4
[M-H]- 240.986974 148.8
[M+NH4]+ 260.028073 164.3
[M+K]+ 280.957408 144.2
[M+H-H2O]+ 224.991510 143.7
[M+HCOO]- 286.992451 163.0
[M+CH3COO]- 301.008101 189.3
[M+Na-2H]- 262.968916 148.2
[M]+ 241.99370142 162.7
[M]- 241.99479858 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