CID 10888769

Sodium naphthalene-1-sulfinate

Structural Information

Molecular Formula
C10H8O2S
SMILES
C1=CC=C2C(=C1)C=CC=C2S(=O)O
InChI
InChI=1S/C10H8O2S/c11-13(12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,11,12)
InChIKey
ICYDASAGOZFWIC-UHFFFAOYSA-N
Compound name
naphthalene-1-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

879
Patents

192.0245 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03178 135.1
[M+Na]+ 215.01372 144.2
[M-H]- 191.01722 138.9
[M+NH4]+ 210.05832 155.7
[M+K]+ 230.98766 140.4
[M+H-H2O]+ 175.02176 129.9
[M+HCOO]- 237.02270 152.3
[M+CH3COO]- 251.03835 178.3
[M+Na-2H]- 212.99917 140.9
[M]+ 192.02395 136.7
[M]- 192.02505 136.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe