CID 612957

70591-20-7

Structural Information

Molecular Formula
C15H12N2
SMILES
C1=CC=C(C=C1)C(=NCC#N)C2=CC=CC=C2
InChI
InChI=1S/C15H12N2/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
InChIKey
VRLJFRODHVSTIK-UHFFFAOYSA-N
Compound name
2-(benzhydrylideneamino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

556
Patents

220.10005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10733 155.8
[M+Na]+ 243.08927 164.3
[M-H]- 219.09277 161.7
[M+NH4]+ 238.13387 171.8
[M+K]+ 259.06321 158.5
[M+H-H2O]+ 203.09731 141.3
[M+HCOO]- 265.09825 177.3
[M+CH3COO]- 279.11390 204.1
[M+Na-2H]- 241.07472 161.6
[M]+ 220.09950 149.6
[M]- 220.10060 149.6
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