CID 464862

173908-56-0

Structural Information

Molecular Formula
C14H13ClN2O5S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)NC=O
InChI
InChI=1S/C14H13ClN2O5S/c1-2-22-14(19)12-4-3-7-17(12)23(20,21)13-8-10(15)5-6-11(13)16-9-18/h3-9H,2H2,1H3,(H,16,18)
InChIKey
UAAYCFMPECWIOA-UHFFFAOYSA-N
Compound name
ethyl 1-(5-chloro-2-formamidophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

356.02338 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.03066 177.9
[M+Na]+ 379.01260 187.4
[M-H]- 355.01610 184.5
[M+NH4]+ 374.05720 192.3
[M+K]+ 394.98654 182.6
[M+H-H2O]+ 339.02064 171.5
[M+HCOO]- 401.02158 192.2
[M+CH3COO]- 415.03723 208.2
[M+Na-2H]- 376.99805 179.0
[M]+ 356.02283 186.0
[M]- 356.02393 186.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.