CID 71305312

1341039-18-6

Structural Information

Molecular Formula
C15H11Cl2NO4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C15H11Cl2NO4S2/c1-10-2-5-12(6-3-10)24(21,22)18-9-15(23(17,19)20)13-8-11(16)4-7-14(13)18/h2-9H,1H3
InChIKey
PQEGSZQQVDHDEN-UHFFFAOYSA-N
Compound name
5-chloro-1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.95065 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.95793 188.9
[M+Na]+ 425.93987 202.7
[M-H]- 401.94337 196.9
[M+NH4]+ 420.98447 204.2
[M+K]+ 441.91381 195.5
[M+H-H2O]+ 385.94791 184.9
[M+HCOO]- 447.94885 192.3
[M+CH3COO]- 461.96450 211.4
[M+Na-2H]- 423.92532 191.9
[M]+ 402.95010 199.5
[M]- 402.95120 199.5
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.