CID 79678

2,2-diphenylbutyronitrile

Structural Information

Molecular Formula
C16H15N
SMILES
CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H15N/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3
InChIKey
NQCFFHSZJWFYEU-UHFFFAOYSA-N
Compound name
2,2-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

221.12045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12773 158.1
[M+Na]+ 244.10967 167.1
[M-H]- 220.11317 163.1
[M+NH4]+ 239.15427 174.2
[M+K]+ 260.08361 160.8
[M+H-H2O]+ 204.11771 144.6
[M+HCOO]- 266.11865 176.6
[M+CH3COO]- 280.13430 201.1
[M+Na-2H]- 242.09512 164.4
[M]+ 221.11990 152.2
[M]- 221.12100 152.2
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.