CID 224849

Tetracyclo[6.6.2.0^{2,7}.0^{9,14}]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

Structural Information

Molecular Formula
C17H14O2
SMILES
C1C(C2C3=CC=CC=C3C1C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C17H14O2/c18-17(19)15-9-14-10-5-1-3-7-12(10)16(15)13-8-4-2-6-11(13)14/h1-8,14-16H,9H2,(H,18,19)
InChIKey
LZKBBIGRPXLMRB-UHFFFAOYSA-N
Compound name
tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

87
Patents

250.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 152.2
[M+Na]+ 273.08860 157.5
[M-H]- 249.09210 153.4
[M+NH4]+ 268.13320 173.2
[M+K]+ 289.06254 152.8
[M+H-H2O]+ 233.09664 144.9
[M+HCOO]- 295.09758 163.9
[M+CH3COO]- 309.11323 162.5
[M+Na-2H]- 271.07405 161.7
[M]+ 250.09883 153.1
[M]- 250.09993 153.1
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.