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]+ 207.104046 143.7
[M+Na]+ 229.085988 155.1
[M-H]- 205.089494 146.0
[M+NH4]+ 224.130593 160.7
[M+K]+ 245.059928 150.8
[M+H-H2O]+ 189.094030 134.4
[M+HCOO]- 251.094971 165.6
[M+CH3COO]- 265.110621 189.6
[M+Na-2H]- 227.071436 147.2
[M]+ 206.09622142 142.6
[M]- 206.09731858 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.