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

12
Patents

269.95358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96086 153.8
[M+Na]+ 292.94280 164.1
[M-H]- 268.94630 157.2
[M+NH4]+ 287.98740 172.1
[M+K]+ 308.91674 159.9
[M+H-H2O]+ 252.95084 149.4
[M+HCOO]- 314.95178 162.9
[M+CH3COO]- 328.96743 190.0
[M+Na-2H]- 290.92825 154.6
[M]+ 269.95303 160.5
[M]- 269.95413 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