CID 121552310

6-methoxy-3,4-dihydronaphthalene-2-sulfonyl chloride

Structural Information

Molecular Formula
C11H11ClO3S
SMILES
COC1=CC2=C(C=C1)C=C(CC2)S(=O)(=O)Cl
InChI
InChI=1S/C11H11ClO3S/c1-15-10-4-2-9-7-11(16(12,13)14)5-3-8(9)6-10/h2,4,6-7H,3,5H2,1H3
InChIKey
PBVIDHLUQCDCFF-UHFFFAOYSA-N
Compound name
6-methoxy-3,4-dihydronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.01175 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.019026 150.2
[M+Na]+ 281.000968 160.5
[M-H]- 257.004474 155.4
[M+NH4]+ 276.045573 170.0
[M+K]+ 296.974908 156.0
[M+H-H2O]+ 241.009010 145.9
[M+HCOO]- 303.009951 162.4
[M+CH3COO]- 317.025601 189.9
[M+Na-2H]- 278.986416 156.0
[M]+ 258.01120142 155.8
[M]- 258.01229858 155.8
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.