CID 75524953

Methyl n-{2-[5-(chlorosulfonyl)thiophen-2-yl]ethyl}carbamate

Structural Information

Molecular Formula
C8H10ClNO4S2
SMILES
COC(=O)NCCC1=CC=C(S1)S(=O)(=O)Cl
InChI
InChI=1S/C8H10ClNO4S2/c1-14-8(11)10-5-4-6-2-3-7(15-6)16(9,12)13/h2-3H,4-5H2,1H3,(H,10,11)
InChIKey
TWRZHJIFWONYRV-UHFFFAOYSA-N
Compound name
methyl N-[2-(5-chlorosulfonylthiophen-2-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.97397 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.98125 162.4
[M+Na]+ 305.96319 170.2
[M+NH4]+ 301.00779 168.9
[M+K]+ 321.93713 164.0
[M-H]- 281.96669 161.6
[M+Na-2H]- 303.94864 164.2
[M]+ 282.97342 164.1
[M]- 282.97452 164.1
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.