CID 138039640

(1-benzyl-3-methyl-2-oxoazetidin-3-yl)methanesulfonyl fluoride

Structural Information

Molecular Formula
C12H14FNO3S
SMILES
CC1(CN(C1=O)CC2=CC=CC=C2)CS(=O)(=O)F
InChI
InChI=1S/C12H14FNO3S/c1-12(9-18(13,16)17)8-14(11(12)15)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKey
SYSJWDYCMFEWIR-UHFFFAOYSA-N
Compound name
(1-benzyl-3-methyl-2-oxoazetidin-3-yl)methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.06784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07512 153.8
[M+Na]+ 294.05706 161.0
[M-H]- 270.06056 157.7
[M+NH4]+ 289.10166 164.6
[M+K]+ 310.03100 160.6
[M+H-H2O]+ 254.06510 141.3
[M+HCOO]- 316.06604 167.5
[M+CH3COO]- 330.08169 196.4
[M+Na-2H]- 292.04251 157.1
[M]+ 271.06729 164.6
[M]- 271.06839 164.6
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.