CID 83733466

2-(3-bromo-4-hydroxyphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CC(C)(C1=CC(=C(C=C1)O)Br)C(=O)O
InChI
InChI=1S/C10H11BrO3/c1-10(2,9(13)14)6-3-4-8(12)7(11)5-6/h3-5,12H,1-2H3,(H,13,14)
InChIKey
XXYKYHDLNXTFCR-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-hydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.98917 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 148.3
[M+Na]+ 280.97839 159.4
[M-H]- 256.98189 152.4
[M+NH4]+ 276.02299 167.8
[M+K]+ 296.95233 148.2
[M+H-H2O]+ 240.98643 149.0
[M+HCOO]- 302.98737 165.3
[M+CH3COO]- 317.00302 188.1
[M+Na-2H]- 278.96384 154.0
[M]+ 257.98862 166.5
[M]- 257.98972 166.5
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.