CID 95512

7598-80-3

Structural Information

Molecular Formula
C19H16O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3)O
InChI
InChI=1S/C19H16O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H
InChIKey
WMFZVLIHQVUVGO-UHFFFAOYSA-N
Compound name
phenyl-(4-phenylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

274
Patents

260.12012 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.127396 160.3
[M+Na]+ 283.109338 166.2
[M-H]- 259.112844 168.3
[M+NH4]+ 278.153943 175.4
[M+K]+ 299.083278 160.6
[M+H-H2O]+ 243.117380 151.8
[M+HCOO]- 305.118321 181.9
[M+CH3COO]- 319.133971 171.7
[M+Na-2H]- 281.094786 165.7
[M]+ 260.11957142 157.6
[M]- 260.12066858 157.6
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