CID 131593264

1h-indole-5-sulfonyl fluoride

Structural Information

Molecular Formula
C8H6FNO2S
SMILES
C1=CC2=C(C=CN2)C=C1S(=O)(=O)F
InChI
InChI=1S/C8H6FNO2S/c9-13(11,12)7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey
SRSORSNYOITMAA-UHFFFAOYSA-N
Compound name
1H-indole-5-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.01033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.01761 136.1
[M+Na]+ 221.99955 148.3
[M-H]- 198.00305 138.1
[M+NH4]+ 217.04415 157.3
[M+K]+ 237.97349 143.9
[M+H-H2O]+ 182.00759 130.6
[M+HCOO]- 244.00853 153.6
[M+CH3COO]- 258.02418 175.9
[M+Na-2H]- 219.98500 142.3
[M]+ 199.00978 138.2
[M]- 199.01088 138.2
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.