CID 122163245

1-methyl-1h-indole-2-sulfonyl fluoride

Structural Information

Molecular Formula

C₉H₈FNO₂S

SMILES

CN1C2=CC=CC=C2C=C1S(=O)(=O)F

InChI

InChI=1S/C9H8FNO2S/c1-11-8-5-3-2-4-7(8)6-9(11)14(10,12)13/h2-6H,1H3

InChIKey

RFDLWOGUNMOJHX-UHFFFAOYSA-N

Compound name

1-methylindole-2-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 213.02597 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	214.03325	143.2
[M+Na]+	236.01519	155.7
[M+NH4]+	231.05979	151.1
[M+K]+	251.98913	149.7
[M-H]-	212.01869	142.8
[M+Na-2H]-	234.00064	148.4
[M]+	213.02542	145.3
[M]-	213.02652	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe