CID 20114091

4-(benzyloxy)-3-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C13H10ClFO3S
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)S(=O)(=O)Cl)F
InChI
InChI=1S/C13H10ClFO3S/c14-19(16,17)11-6-7-13(12(15)8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
IHNGVOKYTBQONR-UHFFFAOYSA-N
Compound name
3-fluoro-4-phenylmethoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

300.00232 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.00960 159.8
[M+Na]+ 322.99154 170.3
[M-H]- 298.99504 166.1
[M+NH4]+ 318.03614 176.5
[M+K]+ 338.96548 164.6
[M+H-H2O]+ 282.99958 153.0
[M+HCOO]- 345.00052 173.4
[M+CH3COO]- 359.01617 196.4
[M+Na-2H]- 320.97699 163.9
[M]+ 300.00177 165.0
[M]- 300.00287 165.0
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