CID 21876524

Sodium (2,4-dichlorophenyl)methanesulfinate

Structural Information

Molecular Formula
C7H6Cl2O2S
SMILES
C1=CC(=C(C=C1Cl)Cl)CS(=O)O
InChI
InChI=1S/C7H6Cl2O2S/c8-6-2-1-5(4-12(10)11)7(9)3-6/h1-3H,4H2,(H,10,11)
InChIKey
OUPUANYIFGJDFU-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenyl)methanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

223.94655 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.95383 141.5
[M+Na]+ 246.93577 155.3
[M+NH4]+ 241.98037 150.6
[M+K]+ 262.90971 146.6
[M-H]- 222.93927 143.1
[M+Na-2H]- 244.92122 147.4
[M]+ 223.94600 145.0
[M]- 223.94710 145.0
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.