CID 12347899

58236-20-7

Structural Information

Molecular Formula
C15H8Cl2O2
SMILES
C1=CC2=CC3=CC(=C(C=C3C=C2C(=C1)C(=O)O)Cl)Cl
InChI
InChI=1S/C15H8Cl2O2/c16-13-6-9-4-8-2-1-3-11(15(18)19)12(8)5-10(9)7-14(13)17/h1-7H,(H,18,19)
InChIKey
KNUSPCYZXSAADW-UHFFFAOYSA-N
Compound name
6,7-dichloroanthracene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.99014 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.99742 156.0
[M+Na]+ 312.97936 169.0
[M-H]- 288.98286 160.6
[M+NH4]+ 308.02396 175.0
[M+K]+ 328.95330 161.6
[M+H-H2O]+ 272.98740 151.6
[M+HCOO]- 334.98834 168.2
[M+CH3COO]- 349.00399 169.1
[M+Na-2H]- 310.96481 162.8
[M]+ 289.98959 162.0
[M]- 289.99069 162.0
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.