CID 2736735

148901-51-3

Structural Information

Molecular Formula
C11H7FN2
SMILES
C1=CN(C=C1)C2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C11H7FN2/c12-10-4-3-5-11(9(10)8-13)14-6-1-2-7-14/h1-7H
InChIKey
NPZSWZGYPPDMFS-UHFFFAOYSA-N
Compound name
2-fluoro-6-pyrrol-1-ylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

186.05933 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.066606 137.4
[M+Na]+ 209.048548 149.2
[M-H]- 185.052054 140.7
[M+NH4]+ 204.093153 155.5
[M+K]+ 225.022488 143.8
[M+H-H2O]+ 169.056590 122.7
[M+HCOO]- 231.057531 157.4
[M+CH3COO]- 245.073181 149.7
[M+Na-2H]- 207.033996 142.1
[M]+ 186.05878142 131.2
[M]- 186.05987858 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