CID 67287

Sodium 5,6,7,8-tetrahydronaphthalene-2-sulphonate

Structural Information

Molecular Formula
C10H12O3S
SMILES
C1CCC2=C(C1)C=CC(=C2)S(=O)(=O)O
InChI
InChI=1S/C10H12O3S/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2,(H,11,12,13)
InChIKey
CTEWUQNEQPLMMJ-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

212.05072 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.057996 141.6
[M+Na]+ 235.039938 149.3
[M-H]- 211.043444 144.7
[M+NH4]+ 230.084543 161.2
[M+K]+ 251.013878 145.9
[M+H-H2O]+ 195.047980 136.7
[M+HCOO]- 257.048921 155.8
[M+CH3COO]- 271.064571 179.7
[M+Na-2H]- 233.025386 147.6
[M]+ 212.05017142 141.3
[M]- 212.05126858 141.3
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