CID 162673

67580-39-6

Structural Information

Molecular Formula
C16H14O5S
SMILES
COC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OC)S(=O)(=O)O
InChI
InChI=1S/C16H14O5S/c1-20-15-11-5-3-4-6-12(11)16(21-2)14-9-10(22(17,18)19)7-8-13(14)15/h3-9H,1-2H3,(H,17,18,19)
InChIKey
FAYVAXYICXQWOP-UHFFFAOYSA-N
Compound name
9,10-dimethoxyanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

810
Patents

318.05618 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06346 167.7
[M+Na]+ 341.04540 178.9
[M-H]- 317.04890 172.9
[M+NH4]+ 336.09000 184.5
[M+K]+ 357.01934 174.9
[M+H-H2O]+ 301.05344 161.3
[M+HCOO]- 363.05438 184.0
[M+CH3COO]- 377.07003 202.8
[M+Na-2H]- 339.03085 175.2
[M]+ 318.05563 176.3
[M]- 318.05673 176.3
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