CID 71305356

1-tosyl-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C15H12ClNO4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)S(=O)(=O)Cl
InChI
InChI=1S/C15H12ClNO4S2/c1-11-6-8-12(9-7-11)23(20,21)17-10-15(22(16,18)19)13-4-2-3-5-14(13)17/h2-10H,1H3
InChIKey
IJGVMXRUDJCUFD-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)sulfonylindole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

368.98962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.996896 183.6
[M+Na]+ 391.978838 196.7
[M-H]- 367.982344 191.5
[M+NH4]+ 387.023443 199.5
[M+K]+ 407.952778 190.0
[M+H-H2O]+ 351.986880 178.7
[M+HCOO]- 413.987821 191.9
[M+CH3COO]- 428.003471 206.2
[M+Na-2H]- 389.964286 187.7
[M]+ 368.98907142 192.8
[M]- 368.99016858 192.8
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

patents stripe