CID 5219726

9,10-anthracenedicarboxylic acid

Structural Information

Molecular Formula
C16H10O4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C(=O)O)C(=O)O
InChI
InChI=1S/C16H10O4/c17-15(18)13-9-5-1-2-6-10(9)14(16(19)20)12-8-4-3-7-11(12)13/h1-8H,(H,17,18)(H,19,20)
InChIKey
FDFGHPKPHFUHBP-UHFFFAOYSA-N
Compound name
anthracene-9,10-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

835
Patents

266.05792 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06520 154.8
[M+Na]+ 289.04714 164.3
[M-H]- 265.05064 158.5
[M+NH4]+ 284.09174 172.0
[M+K]+ 305.02108 159.9
[M+H-H2O]+ 249.05518 148.4
[M+HCOO]- 311.05612 174.1
[M+CH3COO]- 325.07177 194.6
[M+Na-2H]- 287.03259 161.4
[M]+ 266.05737 156.7
[M]- 266.05847 156.7
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