CID 9883304

Laccaic acid d

Structural Information

Molecular Formula
C16H10O7
SMILES
CC1=C2C(=CC(=C1C(=O)O)O)C(=O)C3=C(C2=O)C(=CC(=C3)O)O
InChI
InChI=1S/C16H10O7/c1-5-11-8(4-10(19)12(5)16(22)23)14(20)7-2-6(17)3-9(18)13(7)15(11)21/h2-4,17-19H,1H3,(H,22,23)
InChIKey
DDTNCHWMNZLWKO-UHFFFAOYSA-N
Compound name
3,6,8-trihydroxy-1-methyl-9,10-dioxoanthracene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

124
Patents

314.04266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 163.4
[M+Na]+ 337.03188 174.2
[M-H]- 313.03538 165.2
[M+NH4]+ 332.07648 178.0
[M+K]+ 353.00582 170.4
[M+H-H2O]+ 297.03992 157.9
[M+HCOO]- 359.04086 178.1
[M+CH3COO]- 373.05651 203.4
[M+Na-2H]- 335.01733 165.6
[M]+ 314.04211 165.4
[M]- 314.04321 165.4
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

No patent data available for this compound.