CID 46908592

5-(2-fluorophenyl)-1h-pyrrole-3-carbonitrile

Structural Information

Molecular Formula
C11H7FN2
SMILES
C1=CC=C(C(=C1)C2=CC(=CN2)C#N)F
InChI
InChI=1S/C11H7FN2/c12-10-4-2-1-3-9(10)11-5-8(6-13)7-14-11/h1-5,7,14H
InChIKey
ZDEFHFJZEDEKJO-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-1H-pyrrole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

186.05933 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.06661 138.9
[M+Na]+ 209.04855 150.2
[M-H]- 185.05205 140.9
[M+NH4]+ 204.09315 156.3
[M+K]+ 225.02249 144.1
[M+H-H2O]+ 169.05659 124.5
[M+HCOO]- 231.05753 157.5
[M+CH3COO]- 245.07318 150.5
[M+Na-2H]- 207.03400 143.0
[M]+ 186.05878 131.0
[M]- 186.05988 131.0
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

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