CID 515916

2-methoxyethyl 1-(5-chloro-2-nitro-phenyl)sulfonylpyrrole-2-carboxylate

Structural Information

Molecular Formula
C14H13ClN2O7S
SMILES
COCCOC(=O)C1=CC=CN1S(=O)(=O)C2=C(C=CC(=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H13ClN2O7S/c1-23-7-8-24-14(18)12-3-2-6-16(12)25(21,22)13-9-10(15)4-5-11(13)17(19)20/h2-6,9H,7-8H2,1H3
InChIKey
BAIJFDVHBYJUOF-UHFFFAOYSA-N
Compound name
2-methoxyethyl 1-(5-chloro-2-nitrophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.0132 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02048 184.3
[M+Na]+ 411.00242 191.5
[M-H]- 387.00592 190.7
[M+NH4]+ 406.04702 196.3
[M+K]+ 426.97636 184.0
[M+H-H2O]+ 371.01046 182.3
[M+HCOO]- 433.01140 198.2
[M+CH3COO]- 447.02705 204.7
[M+Na-2H]- 408.98787 187.8
[M]+ 388.01265 191.5
[M]- 388.01375 191.5
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.