CID 130649173

5-(difluoromethyl)-1-methyl-1h-1,2,3-triazol-4-amine

Structural Information

Molecular Formula
C4H6F2N4
SMILES
CN1C(=C(N=N1)N)C(F)F
InChI
InChI=1S/C4H6F2N4/c1-10-2(3(5)6)4(7)8-9-10/h3H,7H2,1H3
InChIKey
YFOCSNKDBXQYMS-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1-methyltriazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

148.05605 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.06333 124.9
[M+Na]+ 171.04527 135.3
[M-H]- 147.04877 122.4
[M+NH4]+ 166.08987 143.8
[M+K]+ 187.01921 133.7
[M+H-H2O]+ 131.05331 115.9
[M+HCOO]- 193.05425 145.2
[M+CH3COO]- 207.06990 177.3
[M+Na-2H]- 169.03072 128.9
[M]+ 148.05550 121.4
[M]- 148.05660 121.4
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