CID 3847307

2-(4-bromophenyl)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H11BrO2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C14H11BrO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,(H,16,17)
InChIKey
YNCBITWCPFWJJG-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

289.99423 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.00151 152.9
[M+Na]+ 312.98345 157.3
[M+NH4]+ 308.02805 157.7
[M+K]+ 328.95739 156.9
[M-H]- 288.98695 155.0
[M+Na-2H]- 310.96890 158.5
[M]+ 289.99368 153.0
[M]- 289.99478 153.0
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