CID 55279121

2-fluoro-3-methoxybenzene-1-sulfonyl chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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

No literature data available for this compound.

Patent stripe

patents stripe