CID 314332

N-(5-chloro-1,3,4-thiadiazol-2-yl)acetamide

Structural Information

Molecular Formula
C4H4ClN3OS
SMILES
CC(=O)NC1=NN=C(S1)Cl
InChI
InChI=1S/C4H4ClN3OS/c1-2(9)6-4-8-7-3(5)10-4/h1H3,(H,6,8,9)
InChIKey
CKUUONNLVFAZNC-UHFFFAOYSA-N
Compound name
N-(5-chloro-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.97636 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.98364 131.5
[M+Na]+ 199.96558 142.1
[M-H]- 175.96908 133.5
[M+NH4]+ 195.01018 152.2
[M+K]+ 215.93952 139.1
[M+H-H2O]+ 159.97362 125.8
[M+HCOO]- 221.97456 146.3
[M+CH3COO]- 235.99021 176.6
[M+Na-2H]- 197.95103 134.4
[M]+ 176.97581 134.8
[M]- 176.97691 134.8
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

patents stripe