CID 104565

53700-79-1

Structural Information

Molecular Formula
C12H10O3S
SMILES
C1CC2=CC=C(C3=CC=CC1=C23)S(=O)(=O)O
InChI
InChI=1S/C12H10O3S/c13-16(14,15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2,(H,13,14,15)
InChIKey
XXACHQRFXDSJNO-UHFFFAOYSA-N
Compound name
1,2-dihydroacenaphthylene-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

234.03506 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04234 148.8
[M+Na]+ 257.02428 159.0
[M-H]- 233.02778 153.0
[M+NH4]+ 252.06888 171.1
[M+K]+ 272.99822 154.9
[M+H-H2O]+ 217.03232 144.8
[M+HCOO]- 279.03326 164.5
[M+CH3COO]- 293.04891 185.4
[M+Na-2H]- 255.00973 155.2
[M]+ 234.03451 152.8
[M]- 234.03561 152.8
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