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
2
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]+ 222.127726 158.1
[M+Na]+ 244.109668 167.1
[M-H]- 220.113174 163.1
[M+NH4]+ 239.154273 174.2
[M+K]+ 260.083608 160.8
[M+H-H2O]+ 204.117710 144.6
[M+HCOO]- 266.118651 176.6
[M+CH3COO]- 280.134301 201.1
[M+Na-2H]- 242.095116 164.4
[M]+ 221.11990142 152.2
[M]- 221.12099858 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

literature stripe

Patent stripe

patents stripe