CID 105509738

2-(4-fluorophenyl)-2-methoxyethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClFO3S
SMILES
COC(CS(=O)(=O)Cl)C1=CC=C(C=C1)F
InChI
InChI=1S/C9H10ClFO3S/c1-14-9(6-15(10,12)13)7-2-4-8(11)5-3-7/h2-5,9H,6H2,1H3
InChIKey
DLJARSQDOLJBOS-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-2-methoxyethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.00232 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.00960 146.3
[M+Na]+ 274.99154 155.8
[M-H]- 250.99504 149.4
[M+NH4]+ 270.03614 165.0
[M+K]+ 290.96548 151.9
[M+H-H2O]+ 234.99958 141.0
[M+HCOO]- 297.00052 158.6
[M+CH3COO]- 311.01617 188.3
[M+Na-2H]- 272.97699 149.4
[M]+ 252.00177 151.5
[M]- 252.00287 151.5
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.