CID 53438780

6-fluoro-1h-indole-3-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClFNO2S
SMILES
C1=CC2=C(C=C1F)NC=C2S(=O)(=O)Cl
InChI
InChI=1S/C8H5ClFNO2S/c9-14(12,13)8-4-11-7-3-5(10)1-2-6(7)8/h1-4,11H
InChIKey
JSTGPRSOPPQMDQ-UHFFFAOYSA-N
Compound name
6-fluoro-1H-indole-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

232.97136 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97864 142.0
[M+Na]+ 255.96058 155.6
[M-H]- 231.96408 144.3
[M+NH4]+ 251.00518 162.9
[M+K]+ 271.93452 149.6
[M+H-H2O]+ 215.96862 137.4
[M+HCOO]- 277.96956 154.7
[M+CH3COO]- 291.98521 180.9
[M+Na-2H]- 253.94603 147.1
[M]+ 232.97081 146.3
[M]- 232.97191 146.3
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