CID 10080767

5-phenyl-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C(C=C1)C2=CC(=CN2)C#N
InChI
InChI=1S/C11H8N2/c12-7-9-6-11(13-8-9)10-4-2-1-3-5-10/h1-6,8,13H
InChIKey
QHCBCVFLFCKZJA-UHFFFAOYSA-N
Compound name
5-phenyl-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

168.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 138.4
[M+Na]+ 191.05796 149.1
[M-H]- 167.06146 141.4
[M+NH4]+ 186.10256 156.3
[M+K]+ 207.03190 143.1
[M+H-H2O]+ 151.06600 124.7
[M+HCOO]- 213.06694 157.9
[M+CH3COO]- 227.08259 150.2
[M+Na-2H]- 189.04341 143.6
[M]+ 168.06819 131.2
[M]- 168.06929 131.2
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