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]+ 149.063326 124.9
[M+Na]+ 171.045268 135.3
[M-H]- 147.048774 122.4
[M+NH4]+ 166.089873 143.8
[M+K]+ 187.019208 133.7
[M+H-H2O]+ 131.053310 115.9
[M+HCOO]- 193.054251 145.2
[M+CH3COO]- 207.069901 177.3
[M+Na-2H]- 169.030716 128.9
[M]+ 148.05550142 121.4
[M]- 148.05659858 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