CID 65367587

5-carbamoyl-2-methylfuran-3-sulfonyl chloride

Structural Information

Molecular Formula
C6H6ClNO4S
SMILES
CC1=C(C=C(O1)C(=O)N)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO4S/c1-3-5(13(7,10)11)2-4(12-3)6(8)9/h2H,1H3,(H2,8,9)
InChIKey
DSHMBSMSPMTIRP-UHFFFAOYSA-N
Compound name
5-carbamoyl-2-methylfuran-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.97061 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97789 142.1
[M+Na]+ 245.95983 152.9
[M-H]- 221.96333 147.4
[M+NH4]+ 241.00443 162.0
[M+K]+ 261.93377 150.6
[M+H-H2O]+ 205.96787 138.6
[M+HCOO]- 267.96881 156.8
[M+CH3COO]- 281.98446 183.5
[M+Na-2H]- 243.94528 144.7
[M]+ 222.97006 147.6
[M]- 222.97116 147.6
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.