CID 255295

3,3,3 triphenylpropionitrile

Structural Information

Molecular Formula
C21H17N
SMILES
C1=CC=C(C=C1)C(CC#N)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H17N/c22-17-16-21(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-15H,16H2
InChIKey
HIJRINSXBOZPGQ-UHFFFAOYSA-N
Compound name
3,3,3-triphenylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

283.1361 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14338 177.6
[M+Na]+ 306.12532 186.0
[M-H]- 282.12882 184.1
[M+NH4]+ 301.16992 190.5
[M+K]+ 322.09926 176.9
[M+H-H2O]+ 266.13336 162.3
[M+HCOO]- 328.13430 195.3
[M+CH3COO]- 342.14995 186.6
[M+Na-2H]- 304.11077 183.0
[M]+ 283.13555 170.3
[M]- 283.13665 170.3
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