CID 2748265

1,1-diphenyl-1,2-propanediol

Structural Information

Molecular Formula
C15H16O2
SMILES
CC(C(C1=CC=CC=C1)(C2=CC=CC=C2)O)O
InChI
InChI=1S/C15H16O2/c1-12(16)15(17,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12,16-17H,1H3
InChIKey
RQKXFLUAQLDHMO-UHFFFAOYSA-N
Compound name
1,1-diphenylpropane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

544
Patents

228.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 151.8
[M+Na]+ 251.104258 157.2
[M-H]- 227.107764 155.6
[M+NH4]+ 246.148863 168.0
[M+K]+ 267.078198 153.4
[M+H-H2O]+ 211.112300 145.4
[M+HCOO]- 273.113241 170.7
[M+CH3COO]- 287.128891 185.2
[M+Na-2H]- 249.089706 158.0
[M]+ 228.11449142 149.3
[M]- 228.11558858 149.3
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