CID 3034962

Carbamic chloride, (5-(1,1-dimethylethyl)-1,3,4-thiadiazol-2-yl)methyl-

Structural Information

Molecular Formula
C8H12ClN3OS
SMILES
CC(C)(C)C1=NN=C(S1)N(C)C(=O)Cl
InChI
InChI=1S/C8H12ClN3OS/c1-8(2,3)5-10-11-7(14-5)12(4)6(9)13/h1-4H3
InChIKey
HBHLQGBZOYCPHE-UHFFFAOYSA-N
Compound name
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

233.03896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.04624 150.5
[M+Na]+ 256.02818 159.9
[M-H]- 232.03168 153.8
[M+NH4]+ 251.07278 169.7
[M+K]+ 272.00212 157.7
[M+H-H2O]+ 216.03622 144.4
[M+HCOO]- 278.03716 163.0
[M+CH3COO]- 292.05281 191.7
[M+Na-2H]- 254.01363 151.6
[M]+ 233.03841 156.0
[M]- 233.03951 156.0
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.