CID 253146

2-chloro-5-ethyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C4H5ClN2S
SMILES
CCC1=NN=C(S1)Cl
InChI
InChI=1S/C4H5ClN2S/c1-2-3-6-7-4(5)8-3/h2H2,1H3
InChIKey
CLUNMUKPUZKTQF-UHFFFAOYSA-N
Compound name
2-chloro-5-ethyl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

147.98619 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.993466 124.1
[M+Na]+ 170.975408 135.7
[M-H]- 146.978914 126.0
[M+NH4]+ 166.020013 146.5
[M+K]+ 186.949348 132.8
[M+H-H2O]+ 130.983450 118.8
[M+HCOO]- 192.984391 138.5
[M+CH3COO]- 207.000041 170.8
[M+Na-2H]- 168.960856 127.4
[M]+ 147.98564142 128.1
[M]- 147.98673858 128.1
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