CID 165665372

2742652-98-6

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]+ 226.992806 139.8
[M+Na]+ 248.974748 150.4
[M-H]- 224.978254 144.0
[M+NH4]+ 244.019353 160.2
[M+K]+ 264.948688 145.1
[M+H-H2O]+ 208.982790 135.9
[M+HCOO]- 270.983731 152.5
[M+CH3COO]- 284.999381 153.4
[M+Na-2H]- 246.960196 144.7
[M]+ 225.98498142 143.9
[M]- 225.98607858 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.