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]+ 407.96254 181.8
[M+Na]+ 429.94448 191.7
[M-H]- 405.94798 188.2
[M+NH4]+ 424.98908 194.8
[M+K]+ 445.91842 185.4
[M+H-H2O]+ 389.95252 177.5
[M+HCOO]- 451.95346 185.8
[M+CH3COO]- 465.96911 217.2
[M+Na-2H]- 427.92993 182.6
[M]+ 406.95471 190.2
[M]- 406.95581 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.