CID 82512135

2-fluoro-5-(1h-1,2,3-triazol-1-yl)aniline dihydrochloride

Structural Information

Molecular Formula
C8H7FN4
SMILES
C1=CC(=C(C=C1N2C=CN=N2)N)F
InChI
InChI=1S/C8H7FN4/c9-7-2-1-6(5-8(7)10)13-4-3-11-12-13/h1-5H,10H2
InChIKey
DFYZWBJUSHLRCG-UHFFFAOYSA-N
Compound name
2-fluoro-5-(triazol-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06548 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07276 133.6
[M+Na]+ 201.05470 143.9
[M-H]- 177.05820 135.4
[M+NH4]+ 196.09930 151.0
[M+K]+ 217.02864 140.2
[M+H-H2O]+ 161.06274 124.1
[M+HCOO]- 223.06368 156.2
[M+CH3COO]- 237.07933 146.8
[M+Na-2H]- 199.04015 139.7
[M]+ 178.06493 131.0
[M]- 178.06603 131.0
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.