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]+ 235.08660 169.1
[M+Na]+ 257.06854 179.3
[M-H]- 233.07204 172.8
[M+NH4]+ 252.11314 180.0
[M+K]+ 273.04248 172.7
[M+H-H2O]+ 217.07658 153.4
[M+HCOO]- 279.07752 180.3
[M+CH3COO]- 293.09317 219.7
[M+Na-2H]- 255.05399 169.8
[M]+ 234.07877 159.9
[M]- 234.07987 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.