CID 92519

4,4-diphenylbutan-1-ol

Structural Information

Molecular Formula
C16H18O
SMILES
C1=CC=C(C=C1)C(CCCO)C2=CC=CC=C2
InChI
InChI=1S/C16H18O/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKey
VXHWNYWSQHXOLC-UHFFFAOYSA-N
Compound name
4,4-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
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 153.1
[M+Na]+ 249.124988 158.1
[M-H]- 225.128494 157.7
[M+NH4]+ 244.169593 170.0
[M+K]+ 265.098928 153.8
[M+H-H2O]+ 209.133030 145.8
[M+HCOO]- 271.133971 174.5
[M+CH3COO]- 285.149621 188.4
[M+Na-2H]- 247.110436 158.4
[M]+ 226.13522142 151.8
[M]- 226.13631858 151.8
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