CID 80146801

2-chloro-1-(4-methyl-1,2,3-thiadiazol-5-yl)ethan-1-one

Structural Information

Molecular Formula
C5H5ClN2OS
SMILES
CC1=C(SN=N1)C(=O)CCl
InChI
InChI=1S/C5H5ClN2OS/c1-3-5(4(9)2-6)10-8-7-3/h2H2,1H3
InChIKey
BCDCLNYWHZFUHP-UHFFFAOYSA-N
Compound name
2-chloro-1-(4-methylthiadiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.98111 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.98839 131.3
[M+Na]+ 198.97033 142.3
[M-H]- 174.97383 133.2
[M+NH4]+ 194.01493 152.3
[M+K]+ 214.94427 139.3
[M+H-H2O]+ 158.97837 125.8
[M+HCOO]- 220.97931 144.8
[M+CH3COO]- 234.99496 175.6
[M+Na-2H]- 196.95578 133.1
[M]+ 175.98056 135.8
[M]- 175.98166 135.8
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.