CID 44220951

5-fluoro-2-(2-methoxyethoxy)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C9H10ClFO4S
SMILES
COCCOC1=C(C=C(C=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C9H10ClFO4S/c1-14-4-5-15-8-3-2-7(11)6-9(8)16(10,12)13/h2-3,6H,4-5H2,1H3
InChIKey
MNSVCVSKLPJOSK-UHFFFAOYSA-N
Compound name
5-fluoro-2-(2-methoxyethoxy)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

267.99722 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00450 149.2
[M+Na]+ 290.98644 159.6
[M-H]- 266.98994 152.5
[M+NH4]+ 286.03104 167.5
[M+K]+ 306.96038 155.8
[M+H-H2O]+ 250.99448 143.8
[M+HCOO]- 312.99542 162.7
[M+CH3COO]- 327.01107 190.7
[M+Na-2H]- 288.97189 152.9
[M]+ 267.99667 156.7
[M]- 267.99777 156.7
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