CID 165665372

Lithium(1+)8-chloronaphthalene-1-sulfinate

Structural Information

Molecular Formula
C10H7ClO2S
SMILES
C1=CC2=C(C(=C1)S(=O)O)C(=CC=C2)Cl
InChI
InChI=1S/C10H7ClO2S/c11-8-5-1-3-7-4-2-6-9(10(7)8)14(12)13/h1-6H,(H,12,13)
InChIKey
OSFPZDAJUWRHIB-UHFFFAOYSA-N
Compound name
8-chloronaphthalene-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99281 139.8
[M+Na]+ 248.97475 150.4
[M-H]- 224.97825 144.0
[M+NH4]+ 244.01935 160.2
[M+K]+ 264.94869 145.1
[M+H-H2O]+ 208.98279 135.9
[M+HCOO]- 270.98373 152.5
[M+CH3COO]- 284.99938 153.4
[M+Na-2H]- 246.96020 144.7
[M]+ 225.98498 143.9
[M]- 225.98608 143.9
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.