CID 84696263

3-cyclopropoxybenzene-1-sulfonylchloride

Structural Information

Molecular Formula
C9H9ClO3S
SMILES
C1CC1OC2=CC(=CC=C2)S(=O)(=O)Cl
InChI
InChI=1S/C9H9ClO3S/c10-14(11,12)9-3-1-2-8(6-9)13-7-4-5-7/h1-3,6-7H,4-5H2
InChIKey
RXFWXDCZNOXKPP-UHFFFAOYSA-N
Compound name
3-cyclopropyloxybenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.9961 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.003376 140.3
[M+Na]+ 254.985318 151.3
[M-H]- 230.988824 148.3
[M+NH4]+ 250.029923 154.9
[M+K]+ 270.959258 146.9
[M+H-H2O]+ 214.993360 135.0
[M+HCOO]- 276.994301 155.3
[M+CH3COO]- 291.009951 186.6
[M+Na-2H]- 252.970766 145.6
[M]+ 231.99555142 147.8
[M]- 231.99664858 147.8
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

No patent data available for this compound.