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]+ 187.06661 137.4
[M+Na]+ 209.04855 149.2
[M-H]- 185.05205 140.7
[M+NH4]+ 204.09315 155.5
[M+K]+ 225.02249 143.8
[M+H-H2O]+ 169.05659 122.7
[M+HCOO]- 231.05753 157.4
[M+CH3COO]- 245.07318 149.7
[M+Na-2H]- 207.03400 142.1
[M]+ 186.05878 131.2
[M]- 186.05988 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