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

62
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

literature stripe

Patent stripe

patents stripe