CID 13158227

Sodium naphthalen-2-ylmethanesulfinate

Structural Information

Molecular Formula
C11H10O2S
SMILES
C1=CC=C2C=C(C=CC2=C1)CS(=O)O
InChI
InChI=1S/C11H10O2S/c12-14(13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,12,13)
InChIKey
NEHZRUJJNKXJNS-UHFFFAOYSA-N
Compound name
naphthalen-2-ylmethanesulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.04015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04743 140.0
[M+Na]+ 229.02937 153.7
[M+NH4]+ 224.07397 149.8
[M+K]+ 245.00331 144.8
[M-H]- 205.03287 142.9
[M+Na-2H]- 227.01482 147.1
[M]+ 206.03960 143.3
[M]- 206.04070 143.3
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.