CID 135392257

3-fluoroazetidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClFNO2S
SMILES
C1C(CN1S(=O)(=O)Cl)F
InChI
InChI=1S/C3H5ClFNO2S/c4-9(7,8)6-1-3(5)2-6/h3H,1-2H2
InChIKey
JEKYPSBYOIWXGU-UHFFFAOYSA-N
Compound name
3-fluoroazetidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

172.97136 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.97864 119.3
[M+Na]+ 195.96058 127.8
[M-H]- 171.96408 120.6
[M+NH4]+ 191.00518 133.1
[M+K]+ 211.93452 128.0
[M+H-H2O]+ 155.96862 109.0
[M+HCOO]- 217.96956 129.6
[M+CH3COO]- 231.98521 176.5
[M+Na-2H]- 193.94603 123.4
[M]+ 172.97081 129.3
[M]- 172.97191 129.3
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