CID 350826

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

Structural Information

Molecular Formula
C3H3F3N4
SMILES
C1(=NC(=NN1)N)C(F)(F)F
InChI
InChI=1S/C3H3F3N4/c4-3(5,6)1-8-2(7)10-9-1/h(H3,7,8,9,10)
InChIKey
NQNDCVURMZJFNR-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

220
Patents

152.03098 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03826 123.8
[M+Na]+ 175.02020 133.9
[M-H]- 151.02370 118.5
[M+NH4]+ 170.06480 141.6
[M+K]+ 190.99414 131.2
[M+H-H2O]+ 135.02824 114.5
[M+HCOO]- 197.02918 141.2
[M+CH3COO]- 211.04483 172.2
[M+Na-2H]- 173.00565 129.8
[M]+ 152.03043 116.4
[M]- 152.03153 116.4
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