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

3255
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 144.9
[M+Na]+ 245.05730 154.8
[M-H]- 221.06080 149.7
[M+NH4]+ 240.10190 164.7
[M+K]+ 261.03124 149.9
[M+H-H2O]+ 205.06534 138.5
[M+HCOO]- 267.06628 166.6
[M+CH3COO]- 281.08193 158.3
[M+Na-2H]- 243.04275 154.2
[M]+ 222.06753 146.2
[M]- 222.06863 146.2
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.