CID 14112224

2-(2-bromophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11BrO2
SMILES
CC(C)(C1=CC=CC=C1Br)C(=O)O
InChI
InChI=1S/C10H11BrO2/c1-10(2,9(12)13)7-5-3-4-6-8(7)11/h3-6H,1-2H3,(H,12,13)
InChIKey
FLSGJYHPNFXLSS-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.99425 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 143.4
[M+Na]+ 264.98347 146.0
[M+NH4]+ 260.02807 147.6
[M+K]+ 280.95741 147.1
[M-H]- 240.98697 142.8
[M+Na-2H]- 262.96892 146.4
[M]+ 241.99370 142.4
[M]- 241.99480 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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