CID 155822069

2490401-71-1

Structural Information

Molecular Formula
C15H12ClNO2S
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)S(=O)(=O)Cl
InChI
InChI=1S/C15H12ClNO2S/c1-17-13-10-6-5-9-12(13)15(20(16,18)19)14(17)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
ARFXNLGDEJTQAP-UHFFFAOYSA-N
Compound name
1-methyl-2-phenylindole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.02774 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03502 167.5
[M+Na]+ 328.01696 180.8
[M-H]- 304.02046 175.6
[M+NH4]+ 323.06156 186.1
[M+K]+ 343.99090 174.2
[M+H-H2O]+ 288.02500 161.7
[M+HCOO]- 350.02594 181.9
[M+CH3COO]- 364.04159 181.0
[M+Na-2H]- 326.00241 171.5
[M]+ 305.02719 175.2
[M]- 305.02829 175.2
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.