CID 288877

2-methyl-2-(4-phenylphenyl)propanoic acid

Structural Information

Molecular Formula
C16H16O2
SMILES
CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H16O2/c1-16(2,15(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,17,18)
InChIKey
OSLDJEURSCSPAQ-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

240.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 154.4
[M+Na]+ 263.10426 161.1
[M-H]- 239.10776 159.9
[M+NH4]+ 258.14886 171.1
[M+K]+ 279.07820 157.3
[M+H-H2O]+ 223.11230 147.8
[M+HCOO]- 285.11324 174.7
[M+CH3COO]- 299.12889 191.0
[M+Na-2H]- 261.08971 159.8
[M]+ 240.11449 153.8
[M]- 240.11559 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe