CID 121599663

Methyl n-[5-(chlorosulfonyl)-4-methyl-1,3-thiazol-2-yl]carbamate

Structural Information

Molecular Formula
C6H7ClN2O4S2
SMILES
CC1=C(SC(=N1)NC(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C6H7ClN2O4S2/c1-3-4(15(7,11)12)14-5(8-3)9-6(10)13-2/h1-2H3,(H,8,9,10)
InChIKey
FFVKKVLKBSOQLV-UHFFFAOYSA-N
Compound name
methyl N-(5-chlorosulfonyl-4-methyl-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

269.95358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.960856 153.8
[M+Na]+ 292.942798 164.1
[M-H]- 268.946304 157.2
[M+NH4]+ 287.987403 172.1
[M+K]+ 308.916738 159.9
[M+H-H2O]+ 252.950840 149.4
[M+HCOO]- 314.951781 162.9
[M+CH3COO]- 328.967431 190.0
[M+Na-2H]- 290.928246 154.6
[M]+ 269.95303142 160.5
[M]- 269.95412858 160.5
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