CID 312395

Dichloro-1,3,4-thiadiazole

Structural Information

Molecular Formula
C2Cl2N2S
SMILES
C1(=NN=C(S1)Cl)Cl
InChI
InChI=1S/C2Cl2N2S/c3-1-5-6-2(4)7-1
InChIKey
JTIHIPQIYDEUNY-UHFFFAOYSA-N
Compound name
2,5-dichloro-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
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

No literature data available for this compound.

Patent stripe

patents stripe