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]+ 216.04891 138.0
[M+Na]+ 238.03085 144.5
[M-H]- 214.03435 140.5
[M+NH4]+ 233.07545 148.3
[M+K]+ 254.00479 143.7
[M+H-H2O]+ 198.03889 125.1
[M+HCOO]- 260.03983 151.0
[M+CH3COO]- 274.05548 183.3
[M+Na-2H]- 236.01630 141.4
[M]+ 215.04108 144.5
[M]- 215.04218 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.