CID 71778072

1803605-64-2

Structural Information

Molecular Formula
C9H10FNO2S
SMILES
C1C(CN1)S(=O)(=O)C2=CC=CC=C2F
InChI
InChI=1S/C9H10FNO2S/c10-8-3-1-2-4-9(8)14(12,13)7-5-11-6-7/h1-4,7,11H,5-6H2
InChIKey
ZCCSLMINHGPOKZ-UHFFFAOYSA-N
Compound name
3-(2-fluorophenyl)sulfonylazetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.04163 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.048906 138.0
[M+Na]+ 238.030848 144.5
[M-H]- 214.034354 140.5
[M+NH4]+ 233.075453 148.3
[M+K]+ 254.004788 143.7
[M+H-H2O]+ 198.038890 125.1
[M+HCOO]- 260.039831 151.0
[M+CH3COO]- 274.055481 183.3
[M+Na-2H]- 236.016296 141.4
[M]+ 215.04108142 144.5
[M]- 215.04217858 144.5
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.