CID 10130708

2-naphthalenesulfonic acid, 6-methyl-, sodium salt

Structural Information

Molecular Formula
C11H10O3S
SMILES
CC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C11H10O3S/c1-8-2-3-10-7-11(15(12,13)14)5-4-9(10)6-8/h2-7H,1H3,(H,12,13,14)
InChIKey
UGDHIURSEUVFCE-UHFFFAOYSA-N
Compound name
6-methylnaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

268
Patents

222.03506 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04234 143.5
[M+Na]+ 245.02428 153.7
[M-H]- 221.02778 147.6
[M+NH4]+ 240.06888 163.1
[M+K]+ 260.99822 149.7
[M+H-H2O]+ 205.03232 138.5
[M+HCOO]- 267.03326 160.1
[M+CH3COO]- 281.04891 183.2
[M+Na-2H]- 243.00973 150.1
[M]+ 222.03451 146.6
[M]- 222.03561 146.6
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