CID 3016289

Methylnaphthalenesulphonic acid

Structural Information

Molecular Formula
C11H10O3S
SMILES
CC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O
InChI
InChI=1S/C11H10O3S/c1-8-6-7-9-4-2-3-5-10(9)11(8)15(12,13)14/h2-7H,1H3,(H,12,13,14)
InChIKey
WODGMMJHSAKKNF-UHFFFAOYSA-N
Compound name
2-methylnaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

4819
Patents

222.03506 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe