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]+ 233.00338 140.3
[M+Na]+ 254.98532 151.3
[M-H]- 230.98882 148.3
[M+NH4]+ 250.02992 154.9
[M+K]+ 270.95926 146.9
[M+H-H2O]+ 214.99336 135.0
[M+HCOO]- 276.99430 155.3
[M+CH3COO]- 291.00995 186.6
[M+Na-2H]- 252.97077 145.6
[M]+ 231.99555 147.8
[M]- 231.99665 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.