CID 150789

1-anthracenecarboxylic acid

Structural Information

Molecular Formula
C15H10O2
SMILES
C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C(=O)O
InChI
InChI=1S/C15H10O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-9H,(H,16,17)
InChIKey
CCFAKBRKTKVJPO-UHFFFAOYSA-N
Compound name
anthracene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29
References

3026
Patents

222.06808 Da
Monoisotopic Mass

4.3
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

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