CID 13458090

69636-40-4

Structural Information

Molecular Formula
C8H10Cl2N4OS
SMILES
CC1(CC1(Cl)Cl)C2=NN=C(N(C2=O)N)SC
InChI
InChI=1S/C8H10Cl2N4OS/c1-7(3-8(7,9)10)4-5(15)14(11)6(16-2)13-12-4/h3,11H2,1-2H3
InChIKey
WPRZECQDCXBDPT-UHFFFAOYSA-N
Compound name
4-amino-6-(2,2-dichloro-1-methylcyclopropyl)-3-methylsulfanyl-1,2,4-triazin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

279.99524 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.00252 150.4
[M+Na]+ 302.98446 163.7
[M-H]- 278.98796 153.6
[M+NH4]+ 298.02906 163.3
[M+K]+ 318.95840 158.3
[M+H-H2O]+ 262.99250 145.9
[M+HCOO]- 324.99344 157.4
[M+CH3COO]- 339.00909 162.0
[M+Na-2H]- 300.96991 154.2
[M]+ 279.99469 157.6
[M]- 279.99579 157.6
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

patents stripe