CID 2201

Anthracene-9-carboxylic acid

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)O
InChI
InChI=1S/C15H10O2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,(H,16,17)
InChIKey
XGWFJBFNAQHLEF-UHFFFAOYSA-N
Compound name
anthracene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

300
References

11247
Patents

222.06808 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07536 145.6
[M+Na]+ 245.05730 162.3
[M+NH4]+ 240.10190 155.8
[M+K]+ 261.03124 153.9
[M-H]- 221.06080 149.7
[M+Na-2H]- 243.04275 154.5
[M]+ 222.06753 149.4
[M]- 222.06863 149.4
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