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 146.0
[M+Na]+ 266.98532 156.0
[M-H]- 242.98882 151.0
[M+NH4]+ 262.02992 166.2
[M+K]+ 282.95926 151.3
[M+H-H2O]+ 226.99336 142.1
[M+HCOO]- 288.99430 157.3
[M+CH3COO]- 303.00995 186.4
[M+Na-2H]- 264.97077 151.4
[M]+ 243.99555 149.2
[M]- 243.99665 149.2
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.