CID 116574

64346-09-4

Structural Information

Molecular Formula
C10H12O3S
SMILES
C1CCC2=C(C1)C=CC=C2S(=O)(=O)O
InChI
InChI=1S/C10H12O3S/c11-14(12,13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2,(H,11,12,13)
InChIKey
PIZCOZCKSFVGNE-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe