CID 44121915

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

Structural Information

Molecular Formula
C7H8ClNO4S
SMILES
CN1C=C(C=C1C(=O)OC)S(=O)(=O)Cl
InChI
InChI=1S/C7H8ClNO4S/c1-9-4-5(14(8,11)12)3-6(9)7(10)13-2/h3-4H,1-2H3
InChIKey
BTSURNRVAKJLGT-UHFFFAOYSA-N
Compound name
methyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

236.98625 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.99353 145.3
[M+Na]+ 259.97547 156.7
[M-H]- 235.97897 149.1
[M+NH4]+ 255.02007 165.3
[M+K]+ 275.94941 153.8
[M+H-H2O]+ 219.98351 141.1
[M+HCOO]- 281.98445 159.0
[M+CH3COO]- 296.00010 184.0
[M+Na-2H]- 257.96092 147.0
[M]+ 236.98570 152.9
[M]- 236.98680 152.9
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