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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.033246 140.2
[M+Na]+ 236.015188 153.2
[M-H]- 212.018694 143.8
[M+NH4]+ 231.059793 161.8
[M+K]+ 251.989128 149.5
[M+H-H2O]+ 196.023230 134.4
[M+HCOO]- 258.024171 158.7
[M+CH3COO]- 272.039821 182.6
[M+Na-2H]- 234.000636 145.6
[M]+ 213.02542142 144.8
[M]- 213.02651858 144.8
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