CID 24702356

461430-01-3

Structural Information

Molecular Formula
C3H4F2N4
SMILES
C1(=NC(=NN1)N)C(F)F
InChI
InChI=1S/C3H4F2N4/c4-1(5)2-7-3(6)9-8-2/h1H,(H3,6,7,8,9)
InChIKey
AEQYPFRFKQHBER-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

134.0404 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04768 120.7
[M+Na]+ 157.02962 130.1
[M-H]- 133.03312 116.6
[M+NH4]+ 152.07422 139.1
[M+K]+ 173.00356 127.9
[M+H-H2O]+ 117.03766 111.7
[M+HCOO]- 179.03860 139.9
[M+CH3COO]- 193.05425 170.6
[M+Na-2H]- 155.01507 125.5
[M]+ 134.03985 114.6
[M]- 134.04095 114.6
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.