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 137.9
[M+Na]+ 222.98156 152.5
[M+NH4]+ 218.02616 146.5
[M+K]+ 238.95550 147.4
[M-H]- 198.98506 139.6
[M+Na-2H]- 220.96701 145.3
[M]+ 199.99179 141.2
[M]- 199.99289 141.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.