CID 464715

173908-34-4

Structural Information

Molecular Formula
C13H12Cl2N2O4S
SMILES
CCOC(=O)C1=CC=CN1S(=O)(=O)C2=CC(=C(C=C2N)Cl)Cl
InChI
InChI=1S/C13H12Cl2N2O4S/c1-2-21-13(18)11-4-3-5-17(11)22(19,20)12-7-9(15)8(14)6-10(12)16/h3-7H,2,16H2,1H3
InChIKey
ZXXHXCNDCYTUOP-UHFFFAOYSA-N
Compound name
ethyl 1-(2-amino-4,5-dichlorophenyl)sulfonylpyrrole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

361.98947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.99675 177.4
[M+Na]+ 384.97869 188.3
[M-H]- 360.98219 183.6
[M+NH4]+ 380.02329 192.4
[M+K]+ 400.95263 182.5
[M+H-H2O]+ 344.98673 172.4
[M+HCOO]- 406.98767 186.0
[M+CH3COO]- 421.00332 208.8
[M+Na-2H]- 382.96414 176.5
[M]+ 361.98892 185.0
[M]- 361.99002 185.0
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.