CID 15405452

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

Structural Information

Molecular Formula
C3H3ClN2S
SMILES
C1=NSN=C1CCl
InChI
InChI=1S/C3H3ClN2S/c4-1-3-2-5-7-6-3/h2H,1H2
InChIKey
VXDWULIDECASCQ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

133.97055 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.97783 119.8
[M+Na]+ 156.95977 131.0
[M-H]- 132.96327 121.5
[M+NH4]+ 152.00437 142.4
[M+K]+ 172.93371 128.4
[M+H-H2O]+ 116.96781 114.3
[M+HCOO]- 178.96875 134.6
[M+CH3COO]- 192.98440 134.6
[M+Na-2H]- 154.94522 124.3
[M]+ 133.97000 123.1
[M]- 133.97110 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe