CID 1129929

28242-68-4

Structural Information

Molecular Formula
C8H12ClN3OS
SMILES
CC(C)(C)C1=NN=C(S1)NC(=O)CCl
InChI
InChI=1S/C8H12ClN3OS/c1-8(2,3)6-11-12-7(14-6)10-5(13)4-9/h4H2,1-3H3,(H,10,12,13)
InChIKey
QGFUIOYVGOURCJ-UHFFFAOYSA-N
Compound name
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.03896 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04624 151.3
[M+Na]+ 256.02818 160.5
[M-H]- 232.03168 153.0
[M+NH4]+ 251.07278 169.9
[M+K]+ 272.00212 156.9
[M+H-H2O]+ 216.03622 145.3
[M+HCOO]- 278.03716 163.2
[M+CH3COO]- 292.05281 188.2
[M+Na-2H]- 254.01363 152.9
[M]+ 233.03841 155.4
[M]- 233.03951 155.4
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.