CID 77902

2,2-diphenylbutyric acid

Structural Information

Molecular Formula
C16H16O2
SMILES
CCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H16O2/c1-2-16(15(17)18,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,17,18)
InChIKey
ZFTRKIIOOVMXCS-UHFFFAOYSA-N
Compound name
2,2-diphenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1100
Patents

240.11504 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12232 155.0
[M+Na]+ 263.10426 160.7
[M-H]- 239.10776 160.1
[M+NH4]+ 258.14886 171.3
[M+K]+ 279.07820 156.9
[M+H-H2O]+ 223.11230 148.1
[M+HCOO]- 285.11324 175.3
[M+CH3COO]- 299.12889 189.9
[M+Na-2H]- 261.08971 161.1
[M]+ 240.11449 154.0
[M]- 240.11559 154.0
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