CID 96732

2,2-diphenylvaleric acid

Structural Information

Molecular Formula
C17H18O2
SMILES
CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H18O2/c1-2-13-17(16(18)19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,18,19)
InChIKey
IVYXLCYENQNVHM-UHFFFAOYSA-N
Compound name
2,2-diphenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

254.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13796 159.7
[M+Na]+ 277.11990 165.0
[M-H]- 253.12340 164.5
[M+NH4]+ 272.16450 175.4
[M+K]+ 293.09384 160.9
[M+H-H2O]+ 237.12794 152.6
[M+HCOO]- 299.12888 179.6
[M+CH3COO]- 313.14453 192.9
[M+Na-2H]- 275.10535 165.2
[M]+ 254.13013 159.0
[M]- 254.13123 159.0
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