CID 12841670

Dichloro-1,2,4-triazin-5-amine

Structural Information

Molecular Formula
C3H2Cl2N4
SMILES
C1(=C(N=NC(=N1)Cl)Cl)N
InChI
InChI=1S/C3H2Cl2N4/c4-1-2(6)7-3(5)9-8-1/h(H2,6,7,9)
InChIKey
PHOGCRPGOBSSEV-UHFFFAOYSA-N
Compound name
3,6-dichloro-1,2,4-triazin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

163.96565 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.97293 125.7
[M+Na]+ 186.95487 137.5
[M-H]- 162.95837 124.6
[M+NH4]+ 181.99947 143.3
[M+K]+ 202.92881 133.1
[M+H-H2O]+ 146.96291 119.4
[M+HCOO]- 208.96385 138.6
[M+CH3COO]- 222.97950 176.6
[M+Na-2H]- 184.94032 133.6
[M]+ 163.96510 126.4
[M]- 163.96620 126.4
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

patents stripe