CID 131315212

Ethyl4-(chlorosulfonyl)-3-methyl-1h-pyrrole-2-carboxylate

Structural Information

Molecular Formula
C8H10ClNO4S
SMILES
CCOC(=O)C1=C(C(=CN1)S(=O)(=O)Cl)C
InChI
InChI=1S/C8H10ClNO4S/c1-3-14-8(11)7-5(2)6(4-10-7)15(9,12)13/h4,10H,3H2,1-2H3
InChIKey
QEZTWXGRGPBHJK-UHFFFAOYSA-N
Compound name
ethyl 4-chlorosulfonyl-3-methyl-1H-pyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0019 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.00918 150.3
[M+Na]+ 273.99112 160.7
[M-H]- 249.99462 152.5
[M+NH4]+ 269.03572 169.1
[M+K]+ 289.96506 156.8
[M+H-H2O]+ 233.99916 146.2
[M+HCOO]- 296.00010 162.2
[M+CH3COO]- 310.01575 184.5
[M+Na-2H]- 271.97657 151.1
[M]+ 251.00135 156.3
[M]- 251.00245 156.3
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.