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]+ 214.03325 140.2
[M+Na]+ 236.01519 153.2
[M-H]- 212.01869 143.8
[M+NH4]+ 231.05979 161.8
[M+K]+ 251.98913 149.5
[M+H-H2O]+ 196.02323 134.4
[M+HCOO]- 258.02417 158.7
[M+CH3COO]- 272.03982 182.6
[M+Na-2H]- 234.00064 145.6
[M]+ 213.02542 144.8
[M]- 213.02652 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