CID 2758066

680617-96-3

Structural Information

Molecular Formula
C15H12Cl3NO4S
SMILES
CCOC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)Cl)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C15H12Cl3NO4S/c1-2-23-13-4-3-12(8-14(13)24(18,21)22)19-15(20)9-5-10(16)7-11(17)6-9/h3-8H,2H2,1H3,(H,19,20)
InChIKey
SOJROKXINUQRTN-UHFFFAOYSA-N
Compound name
5-[(3,5-dichlorobenzoyl)amino]-2-ethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.95526 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.962536 181.8
[M+Na]+ 429.944478 191.7
[M-H]- 405.947984 188.2
[M+NH4]+ 424.989083 194.8
[M+K]+ 445.918418 185.4
[M+H-H2O]+ 389.952520 177.5
[M+HCOO]- 451.953461 185.8
[M+CH3COO]- 465.969111 217.2
[M+Na-2H]- 427.929926 182.6
[M]+ 406.95471142 190.2
[M]- 406.95580858 190.2
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

No patent data available for this compound.