CID 89610

4,4-diphenylbutanenitrile

Structural Information

Molecular Formula
C16H15N
SMILES
C1=CC=C(C=C1)C(CCC#N)C2=CC=CC=C2
InChI
InChI=1S/C16H15N/c17-13-7-12-16(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12H2
InChIKey
JYHNHWMZIXPAEL-UHFFFAOYSA-N
Compound name
4,4-diphenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

221.12045 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.127726 155.7
[M+Na]+ 244.109668 164.1
[M-H]- 220.113174 160.4
[M+NH4]+ 239.154273 171.6
[M+K]+ 260.083608 157.7
[M+H-H2O]+ 204.117710 141.8
[M+HCOO]- 266.118651 174.7
[M+CH3COO]- 280.134301 201.5
[M+Na-2H]- 242.095116 160.6
[M]+ 221.11990142 149.7
[M]- 221.12099858 149.7
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

patents stripe