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

48
Patents

236.98625 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.993526 145.3
[M+Na]+ 259.975468 156.7
[M-H]- 235.978974 149.1
[M+NH4]+ 255.020073 165.3
[M+K]+ 275.949408 153.8
[M+H-H2O]+ 219.983510 141.1
[M+HCOO]- 281.984451 159.0
[M+CH3COO]- 296.000101 184.0
[M+Na-2H]- 257.960916 147.0
[M]+ 236.98570142 152.9
[M]- 236.98679858 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