CID 65646717

3-chloro-4-(1-methyl-1h-pyrazol-4-yl)-1,2,5-thiadiazole

Structural Information

Molecular Formula
C6H5ClN4S
SMILES
CN1C=C(C=N1)C2=NSN=C2Cl
InChI
InChI=1S/C6H5ClN4S/c1-11-3-4(2-8-11)5-6(7)10-12-9-5/h2-3H,1H3
InChIKey
NZSIGIVYRPWMGY-UHFFFAOYSA-N
Compound name
3-chloro-4-(1-methylpyrazol-4-yl)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.99234 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99962 136.5
[M+Na]+ 222.98156 151.0
[M-H]- 198.98506 140.1
[M+NH4]+ 218.02616 156.1
[M+K]+ 238.95550 147.1
[M+H-H2O]+ 182.98960 129.2
[M+HCOO]- 244.99054 151.6
[M+CH3COO]- 259.00619 151.1
[M+Na-2H]- 220.96701 138.2
[M]+ 199.99179 142.6
[M]- 199.99289 142.6
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.