CID 63188192

1343260-93-4

Structural Information

Molecular Formula
C8H7FN4
SMILES
C1=CC(=C(C=C1C2=NC=NN2)F)N
InChI
InChI=1S/C8H7FN4/c9-6-3-5(1-2-7(6)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13)
InChIKey
XKPLXWZQTIEWOE-UHFFFAOYSA-N
Compound name
2-fluoro-4-(1H-1,2,4-triazol-5-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

178.06548 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.072756 134.0
[M+Na]+ 201.054698 143.9
[M-H]- 177.058204 134.5
[M+NH4]+ 196.099303 150.8
[M+K]+ 217.028638 139.3
[M+H-H2O]+ 161.062740 124.8
[M+HCOO]- 223.063681 155.1
[M+CH3COO]- 237.079331 146.6
[M+Na-2H]- 199.040146 139.7
[M]+ 178.06493142 129.6
[M]- 178.06602858 129.6
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