CID 45117656

5-fluoro-1h-1,2,4-triazole

Structural Information

Molecular Formula
C2H2FN3
SMILES
C1=NNC(=N1)F
InChI
InChI=1S/C2H2FN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
InChIKey
SOBHMFCHWRGFAU-UHFFFAOYSA-N
Compound name
5-fluoro-1H-1,2,4-triazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

87.02328 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.030556 109.8
[M+Na]+ 110.01250 119.7
[M-H]- 86.016004 107.0
[M+NH4]+ 105.05710 130.5
[M+K]+ 125.98644 118.4
[M+H-H2O]+ 70.020540 102.0
[M+HCOO]- 132.02148 130.8
[M+CH3COO]- 146.03713 158.7
[M+Na-2H]- 107.99795 118.1
[M]+ 87.022731 106.4
[M]- 87.023829 106.4
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

patents stripe