CID 13158227

Sodium (naphthalen-2-yl)methanesulfinate

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

2
Patents

206.04015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.047426 139.7
[M+Na]+ 229.029368 148.3
[M-H]- 205.032874 143.3
[M+NH4]+ 224.073973 159.7
[M+K]+ 245.003308 144.3
[M+H-H2O]+ 189.037410 134.3
[M+HCOO]- 251.038351 156.5
[M+CH3COO]- 265.054001 181.3
[M+Na-2H]- 227.014816 145.0
[M]+ 206.03960142 141.6
[M]- 206.04069858 141.6
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

patents stripe