CID 62900921

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

Structural Information

Molecular Formula
C3H4F2N4
SMILES
C1=NC(=NN1C(F)F)N
InChI
InChI=1S/C3H4F2N4/c4-2(5)9-1-7-3(6)8-9/h1-2H,(H2,6,8)
InChIKey
XDQGZUSTZGPJQB-UHFFFAOYSA-N
Compound name
1-(difluoromethyl)-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.0404 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04768 120.1
[M+Na]+ 157.02962 129.9
[M-H]- 133.03312 117.3
[M+NH4]+ 152.07422 139.2
[M+K]+ 173.00356 128.6
[M+H-H2O]+ 117.03766 110.8
[M+HCOO]- 179.03860 140.7
[M+CH3COO]- 193.05425 173.1
[M+Na-2H]- 155.01507 125.3
[M]+ 134.03985 115.8
[M]- 134.04095 115.8
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.