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

16
Patents

368.98962 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.99690 183.6
[M+Na]+ 391.97884 196.7
[M-H]- 367.98234 191.5
[M+NH4]+ 387.02344 199.5
[M+K]+ 407.95278 190.0
[M+H-H2O]+ 351.98688 178.7
[M+HCOO]- 413.98782 191.9
[M+CH3COO]- 428.00347 206.2
[M+Na-2H]- 389.96429 187.7
[M]+ 368.98907 192.8
[M]- 368.99017 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