CID 21698326

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

Structural Information

Molecular Formula
C3H3ClN2S
SMILES
C1=NN=C(S1)CCl
InChI
InChI=1S/C3H3ClN2S/c4-1-3-6-5-2-7-3/h2H,1H2
InChIKey
VAJWZEFPPICGQF-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
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

No literature data available for this compound.

Patent stripe

patents stripe