CID 2783409

5-fluoro-2-methoxybenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H6ClFO3S
SMILES
COC1=C(C=C(C=C1)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H6ClFO3S/c1-12-6-3-2-5(9)4-7(6)13(8,10)11/h2-4H,1H3
InChIKey
LUEBMKPHZDSPFH-UHFFFAOYSA-N
Compound name
5-fluoro-2-methoxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

142
Patents

223.97102 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.97830 137.0
[M+Na]+ 246.96024 148.5
[M-H]- 222.96374 140.7
[M+NH4]+ 242.00484 157.1
[M+K]+ 262.93418 144.6
[M+H-H2O]+ 206.96828 132.2
[M+HCOO]- 268.96922 150.9
[M+CH3COO]- 282.98487 182.7
[M+Na-2H]- 244.94569 141.5
[M]+ 223.97047 142.3
[M]- 223.97157 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe