CID 246552

1,3-diphenylbutan-1-ol

Structural Information

Molecular Formula
C16H18O
SMILES
CC(CC(C1=CC=CC=C1)O)C2=CC=CC=C2
InChI
InChI=1S/C16H18O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13,16-17H,12H2,1H3
InChIKey
HHOIGVVVPSBYKO-UHFFFAOYSA-N
Compound name
1,3-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.13577 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.143046 153.3
[M+Na]+ 249.124988 158.0
[M-H]- 225.128494 158.0
[M+NH4]+ 244.169593 170.1
[M+K]+ 265.098928 154.2
[M+H-H2O]+ 209.133030 146.1
[M+HCOO]- 271.133971 173.7
[M+CH3COO]- 285.149621 189.2
[M+Na-2H]- 247.110436 157.4
[M]+ 226.13522142 151.4
[M]- 226.13631858 151.4
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