CID 63860344

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

Structural Information

Molecular Formula
C10H11FN4
SMILES
CC1=C(C=CC(=C1)F)N2C(=NC(=N2)C)N
InChI
InChI=1S/C10H11FN4/c1-6-5-8(11)3-4-9(6)15-10(12)13-7(2)14-15/h3-5H,1-2H3,(H2,12,13,14)
InChIKey
XUFJAYZZLUTDBR-UHFFFAOYSA-N
Compound name
2-(4-fluoro-2-methylphenyl)-5-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.09677 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10405 143.7
[M+Na]+ 229.08599 155.1
[M-H]- 205.08949 146.0
[M+NH4]+ 224.13059 160.7
[M+K]+ 245.05993 150.8
[M+H-H2O]+ 189.09403 134.4
[M+HCOO]- 251.09497 165.6
[M+CH3COO]- 265.11062 189.6
[M+Na-2H]- 227.07144 147.2
[M]+ 206.09622 142.6
[M]- 206.09732 142.6
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.