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

124
Patents

168.06874 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.076016 138.4
[M+Na]+ 191.057958 149.1
[M-H]- 167.061464 141.4
[M+NH4]+ 186.102563 156.3
[M+K]+ 207.031898 143.1
[M+H-H2O]+ 151.066000 124.7
[M+HCOO]- 213.066941 157.9
[M+CH3COO]- 227.082591 150.2
[M+Na-2H]- 189.043406 143.6
[M]+ 168.06819142 131.2
[M]- 168.06928858 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