CID 167994562

Rac-(1r,2r)-1-methoxy-1,2,3,4-tetrahydronaphthalene-2-sulfonyl chloride

Structural Information

Molecular Formula
C11H13ClO3S
SMILES
COC1C(CCC2=CC=CC=C12)S(=O)(=O)Cl
InChI
InChI=1S/C11H13ClO3S/c1-15-11-9-5-3-2-4-8(9)6-7-10(11)16(12,13)14/h2-5,10-11H,6-7H2,1H3
InChIKey
ZRYFAGVIHLEQJW-UHFFFAOYSA-N
Compound name
1-methoxy-1,2,3,4-tetrahydronaphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0274 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.03468 151.4
[M+Na]+ 283.01662 160.6
[M-H]- 259.02012 156.2
[M+NH4]+ 278.06122 171.0
[M+K]+ 298.99056 156.4
[M+H-H2O]+ 243.02466 147.2
[M+HCOO]- 305.02560 162.2
[M+CH3COO]- 319.04125 190.2
[M+Na-2H]- 281.00207 156.3
[M]+ 260.02685 155.7
[M]- 260.02795 155.7
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.