CID 3058053

74417-13-3

Structural Information

Molecular Formula
C16H9Cl4N3S
SMILES
CSC1=NC(=C(N=N1)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C16H9Cl4N3S/c1-24-16-21-14(8-2-4-10(17)12(19)6-8)15(22-23-16)9-3-5-11(18)13(20)7-9/h2-7H,1H3
InChIKey
YILHLOPLXOOYMS-UHFFFAOYSA-N
Compound name
5,6-bis(3,4-dichlorophenyl)-3-methylsulfanyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.92712 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.93440 181.3
[M+Na]+ 437.91634 193.2
[M-H]- 413.91984 184.1
[M+NH4]+ 432.96094 190.1
[M+K]+ 453.89028 185.3
[M+H-H2O]+ 397.92438 172.7
[M+HCOO]- 459.92532 176.4
[M+CH3COO]- 473.94097 189.6
[M+Na-2H]- 435.90179 179.9
[M]+ 414.92657 186.1
[M]- 414.92767 186.1
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.