CID 65645169

3-chloro-4-cyclopropyl-1,2,5-thiadiazole

Structural Information

Molecular Formula
C5H5ClN2S
SMILES
C1CC1C2=NSN=C2Cl
InChI
InChI=1S/C5H5ClN2S/c6-5-4(3-1-2-3)7-9-8-5/h3H,1-2H2
InChIKey
JDIDGRAAHFYMTC-UHFFFAOYSA-N
Compound name
3-chloro-4-cyclopropyl-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98619 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.993466 127.2
[M+Na]+ 182.975408 139.7
[M-H]- 158.978914 132.6
[M+NH4]+ 178.020013 143.9
[M+K]+ 198.949348 135.5
[M+H-H2O]+ 142.983450 120.7
[M+HCOO]- 204.984391 142.0
[M+CH3COO]- 219.000041 141.3
[M+Na-2H]- 180.960856 130.3
[M]+ 159.98564142 132.2
[M]- 159.98673858 132.2
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.