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]+ 191.072756 136.3
[M+Na]+ 213.054698 146.0
[M-H]- 189.058204 139.4
[M+NH4]+ 208.099303 153.9
[M+K]+ 229.028638 142.8
[M+H-H2O]+ 173.062740 126.0
[M+HCOO]- 235.063681 160.9
[M+CH3COO]- 249.079331 149.7
[M+Na-2H]- 211.040146 144.1
[M]+ 190.06493142 135.7
[M]- 190.06602858 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.