CID 2736097

175202-31-0

Structural Information

Molecular Formula
C7H7Cl2N5S
SMILES
CN1C(=NNC1=S)CN2C=NC(=C2Cl)Cl
InChI
InChI=1S/C7H7Cl2N5S/c1-13-4(11-12-7(13)15)2-14-3-10-5(8)6(14)9/h3H,2H2,1H3,(H,12,15)
InChIKey
JIFYHCAKBJLMHL-UHFFFAOYSA-N
Compound name
3-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

262.97992 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.98720 152.2
[M+Na]+ 285.96914 167.3
[M-H]- 261.97264 152.8
[M+NH4]+ 281.01374 167.8
[M+K]+ 301.94308 160.6
[M+H-H2O]+ 245.97718 144.7
[M+HCOO]- 307.97812 158.8
[M+CH3COO]- 321.99377 164.4
[M+Na-2H]- 283.95459 150.3
[M]+ 262.97937 157.4
[M]- 262.98047 157.4
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