CID 34221

Naphthalenesulfonic acid, (1-methylethyl)-, sodium salt

Structural Information

Molecular Formula
C13H14O3S
SMILES
CC(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O
InChI
InChI=1S/C13H14O3S/c1-9(2)10-5-3-7-12-11(10)6-4-8-13(12)17(14,15)16/h3-9H,1-2H3,(H,14,15,16)
InChIKey
QJLACXXJNPNCQK-UHFFFAOYSA-N
Compound name
5-propan-2-ylnaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

294
Patents

250.06636 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07364 153.3
[M+Na]+ 273.05558 166.0
[M+NH4]+ 268.10018 161.5
[M+K]+ 289.02952 158.5
[M-H]- 249.05908 154.7
[M+Na-2H]- 271.04103 158.9
[M]+ 250.06581 156.0
[M]- 250.06691 156.0
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