CID 138478

1,3-diphenyl-2-propanol

Structural Information

Molecular Formula
C15H16O
SMILES
C1=CC=C(C=C1)CC(CC2=CC=CC=C2)O
InChI
InChI=1S/C15H16O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
CDLPUTDLLBHWRA-UHFFFAOYSA-N
Compound name
1,3-diphenylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

168
Patents

212.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 148.4
[M+Na]+ 235.10934 153.9
[M-H]- 211.11284 153.3
[M+NH4]+ 230.15394 165.9
[M+K]+ 251.08328 149.8
[M+H-H2O]+ 195.11738 141.3
[M+HCOO]- 257.11832 170.2
[M+CH3COO]- 271.13397 185.4
[M+Na-2H]- 233.09479 154.3
[M]+ 212.11957 146.8
[M]- 212.12067 146.8
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