CID 2759097

2-(3-fluorophenyl)ethanesulfonyl chloride

Structural Information

Molecular Formula
C8H8ClFO2S
SMILES
C1=CC(=CC(=C1)F)CCS(=O)(=O)Cl
InChI
InChI=1S/C8H8ClFO2S/c9-13(11,12)5-4-7-2-1-3-8(10)6-7/h1-3,6H,4-5H2
InChIKey
KULUITPKYGNZQE-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

221.99176 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.99904 139.2
[M+Na]+ 244.98098 149.6
[M-H]- 220.98448 142.3
[M+NH4]+ 240.02558 159.2
[M+K]+ 260.95492 144.9
[M+H-H2O]+ 204.98902 134.1
[M+HCOO]- 266.98996 152.5
[M+CH3COO]- 281.00561 182.5
[M+Na-2H]- 242.96643 143.6
[M]+ 221.99121 143.0
[M]- 221.99231 143.0
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