CID 7021099

2-phenylindole-3-acetonitrile

Structural Information

Molecular Formula
C16H12N2
SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CC#N
InChI
InChI=1S/C16H12N2/c17-11-10-14-13-8-4-5-9-15(13)18-16(14)12-6-2-1-3-7-12/h1-9,18H,10H2
InChIKey
CNAHOBNLHXZPRN-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1H-indol-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

232.10005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10733 158.1
[M+Na]+ 255.08927 170.2
[M-H]- 231.09277 161.7
[M+NH4]+ 250.13387 174.7
[M+K]+ 271.06321 160.9
[M+H-H2O]+ 215.09731 143.8
[M+HCOO]- 277.09825 177.0
[M+CH3COO]- 291.11390 169.0
[M+Na-2H]- 253.07472 163.2
[M]+ 232.09950 152.8
[M]- 232.10060 152.8
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