CID 2804360

660820-66-6

Structural Information

Molecular Formula
C14H12FN3
SMILES
C1=CC=NC(=C1)CCNC2=C(C(=CC=C2)F)C#N
InChI
InChI=1S/C14H12FN3/c15-13-5-3-6-14(12(13)10-16)18-9-7-11-4-1-2-8-17-11/h1-6,8,18H,7,9H2
InChIKey
YVRWCTBZWMJROU-UHFFFAOYSA-N
Compound name
2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

241.10153 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.108806 153.8
[M+Na]+ 264.090748 163.3
[M-H]- 240.094254 156.2
[M+NH4]+ 259.135353 167.6
[M+K]+ 280.064688 157.3
[M+H-H2O]+ 224.098790 138.0
[M+HCOO]- 286.099731 172.8
[M+CH3COO]- 300.115381 206.4
[M+Na-2H]- 262.076196 159.4
[M]+ 241.10098142 146.9
[M]- 241.10207858 146.9
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

No patent data available for this compound.