CID 65695005

2-(chloromethyl)-5-cyclobutyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C7H9ClN2S
SMILES
C1CC(C1)C2=NN=C(S2)CCl
InChI
InChI=1S/C7H9ClN2S/c8-4-6-9-10-7(11-6)5-2-1-3-5/h5H,1-4H2
InChIKey
ROPRUWGWXWXYJN-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-cyclobutyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.0175 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02478 126.8
[M+Na]+ 211.00672 135.2
[M-H]- 187.01022 130.9
[M+NH4]+ 206.05132 140.8
[M+K]+ 226.98066 134.5
[M+H-H2O]+ 171.01476 115.4
[M+HCOO]- 233.01570 139.0
[M+CH3COO]- 247.03135 181.3
[M+Na-2H]- 208.99217 128.9
[M]+ 188.01695 137.7
[M]- 188.01805 137.7
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.