CID 121552983

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

Structural Information

Molecular Formula
C4H5ClN2S
SMILES
CC(C1=CSN=N1)Cl
InChI
InChI=1S/C4H5ClN2S/c1-3(5)4-2-8-7-6-4/h2-3H,1H3
InChIKey
ZWXDOEAAEUGFEN-UHFFFAOYSA-N
Compound name
4-(1-chloroethyl)thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.98619 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.993466 124.5
[M+Na]+ 170.975408 135.0
[M-H]- 146.978914 126.2
[M+NH4]+ 166.020013 146.5
[M+K]+ 186.949348 132.5
[M+H-H2O]+ 130.983450 119.0
[M+HCOO]- 192.984391 138.0
[M+CH3COO]- 207.000041 170.5
[M+Na-2H]- 168.960856 127.5
[M]+ 147.98564142 127.6
[M]- 147.98673858 127.6
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.