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

3
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 139.7
[M+Na]+ 229.02937 148.3
[M-H]- 205.03287 143.3
[M+NH4]+ 224.07397 159.7
[M+K]+ 245.00331 144.3
[M+H-H2O]+ 189.03741 134.3
[M+HCOO]- 251.03835 156.5
[M+CH3COO]- 265.05400 181.3
[M+Na-2H]- 227.01482 145.0
[M]+ 206.03960 141.6
[M]- 206.04070 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