CID 10466550

Bis(4-cyanophenyl)methanol

Structural Information

Molecular Formula
C15H10N2O
SMILES
C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)O
InChI
InChI=1S/C15H10N2O/c16-9-11-1-5-13(6-2-11)15(18)14-7-3-12(10-17)4-8-14/h1-8,15,18H
InChIKey
JNJWXPZHWUOYRZ-UHFFFAOYSA-N
Compound name
4-[(4-cyanophenyl)-hydroxymethyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

52
Patents

234.07932 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.086596 169.1
[M+Na]+ 257.068538 179.3
[M-H]- 233.072044 172.8
[M+NH4]+ 252.113143 180.0
[M+K]+ 273.042478 172.7
[M+H-H2O]+ 217.076580 153.4
[M+HCOO]- 279.077521 180.3
[M+CH3COO]- 293.093171 219.7
[M+Na-2H]- 255.053986 169.8
[M]+ 234.07877142 159.9
[M]- 234.07986858 159.9
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