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]+ 258.996446 148.3
[M+Na]+ 280.978388 159.4
[M-H]- 256.981894 152.4
[M+NH4]+ 276.022993 167.8
[M+K]+ 296.952328 148.2
[M+H-H2O]+ 240.986430 149.0
[M+HCOO]- 302.987371 165.3
[M+CH3COO]- 317.003021 188.1
[M+Na-2H]- 278.963836 154.0
[M]+ 257.98862142 166.5
[M]- 257.98971858 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.