CID 165869895

En300-1611785

Structural Information

Molecular Formula
C10H9ClO3S
SMILES
C1CC2=C(CC1=O)C=CC(=C2)S(=O)(=O)Cl
InChI
InChI=1S/C10H9ClO3S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h2,4,6H,1,3,5H2
InChIKey
PYWNHJKMGCZNFQ-UHFFFAOYSA-N
Compound name
6-oxo-7,8-dihydro-5H-naphthalene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.9961 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.00338 147.6
[M+Na]+ 266.98532 160.8
[M+NH4]+ 262.02992 156.7
[M+K]+ 282.95926 152.4
[M-H]- 242.98882 149.2
[M+Na-2H]- 264.97077 153.1
[M]+ 243.99555 150.7
[M]- 243.99665 150.7
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.