CID 79804

3,4-dichloro-1,2,5-thiadiazole

Structural Information

Molecular Formula
C2Cl2N2S
SMILES
C1(=NSN=C1Cl)Cl
InChI
InChI=1S/C2Cl2N2S/c3-1-2(4)6-7-5-1
InChIKey
YNZQOVYRCBAMEU-UHFFFAOYSA-N
Compound name
3,4-dichloro-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

405
Patents

153.91592 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.92320 121.4
[M+Na]+ 176.90514 133.8
[M-H]- 152.90864 122.9
[M+NH4]+ 171.94974 143.6
[M+K]+ 192.87908 130.2
[M+H-H2O]+ 136.91318 116.8
[M+HCOO]- 198.91412 131.1
[M+CH3COO]- 212.92977 135.9
[M+Na-2H]- 174.89059 124.9
[M]+ 153.91537 125.1
[M]- 153.91647 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe