CID 483125

L-151,022

Structural Information

Molecular Formula
C9H10ClN5
SMILES
CC1=C(C=CC(=C1)Cl)N2C(=NC(=N2)N)N
InChI
InChI=1S/C9H10ClN5/c1-5-4-6(10)2-3-7(5)15-9(12)13-8(11)14-15/h2-4H,1H3,(H4,11,12,13,14)
InChIKey
NPAFSBPFFTVBCN-UHFFFAOYSA-N
Compound name
1-(4-chloro-2-methylphenyl)-1,2,4-triazole-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.06247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.06975 148.5
[M+Na]+ 246.05169 159.9
[M-H]- 222.05519 151.5
[M+NH4]+ 241.09629 164.9
[M+K]+ 262.02563 154.3
[M+H-H2O]+ 206.05973 140.2
[M+HCOO]- 268.06067 167.4
[M+CH3COO]- 282.07632 161.1
[M+Na-2H]- 244.03714 151.9
[M]+ 223.06192 148.2
[M]- 223.06302 148.2
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.