CID 6858414

19015-63-5

Structural Information

Molecular Formula
C9H7FN4
SMILES
C1=CC(=CC=C1/C=N/N2C=NN=C2)F
InChI
InChI=1S/C9H7FN4/c10-9-3-1-8(2-4-9)5-13-14-6-11-12-7-14/h1-7H/b13-5+
InChIKey
KSAZKJYZXLBFPA-WLRTZDKTSA-N
Compound name
(E)-1-(4-fluorophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.06548 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.07276 136.3
[M+Na]+ 213.05470 146.0
[M-H]- 189.05820 139.4
[M+NH4]+ 208.09930 153.9
[M+K]+ 229.02864 142.8
[M+H-H2O]+ 173.06274 126.0
[M+HCOO]- 235.06368 160.9
[M+CH3COO]- 249.07933 149.7
[M+Na-2H]- 211.04015 144.1
[M]+ 190.06493 135.7
[M]- 190.06603 135.7
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

No patent data available for this compound.