CID 54595773

Methyl 4-(chlorosulfonyl)-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C6H6ClNO4S
SMILES
COC(=O)C1=CC(=CN1)S(=O)(=O)Cl
InChI
InChI=1S/C6H6ClNO4S/c1-12-6(9)5-2-4(3-8-5)13(7,10)11/h2-3,8H,1H3
InChIKey
GDVGLPMJTJGVHQ-UHFFFAOYSA-N
Compound name
methyl 4-chlorosulfonyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

222.97061 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.97789 144.9
[M+Na]+ 245.95983 154.5
[M+NH4]+ 241.00443 151.0
[M+K]+ 261.93377 151.0
[M-H]- 221.96333 142.6
[M+Na-2H]- 243.94528 147.4
[M]+ 222.97006 146.0
[M]- 222.97116 146.0
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

patents stripe