CID 464856

173908-38-8

Structural Information

Molecular Formula
C14H13ClN2O4S
SMILES
C=CCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C14H13ClN2O4S/c1-2-8-21-14(18)12-4-3-7-17(12)22(19,20)13-9-10(15)5-6-11(13)16/h2-7,9H,1,8,16H2
InChIKey
VPTUKIJZQGRZHS-UHFFFAOYSA-N
Compound name
prop-2-enyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.02844 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03572 175.8
[M+Na]+ 363.01766 185.6
[M-H]- 339.02116 181.9
[M+NH4]+ 358.06226 190.8
[M+K]+ 378.99160 179.8
[M+H-H2O]+ 323.02570 169.6
[M+HCOO]- 385.02664 189.3
[M+CH3COO]- 399.04229 205.4
[M+Na-2H]- 361.00311 175.6
[M]+ 340.02789 181.6
[M]- 340.02899 181.6
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.