CID 3830563

1643-43-2

Structural Information

Molecular Formula
C17H14O2
SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)CC(=O)O
InChI
InChI=1S/C17H14O2/c18-17(19)11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-10,16H,11H2,(H,18,19)
InChIKey
JGDQIBDRPQXSJO-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

250.09938 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 153.3
[M+Na]+ 273.08860 160.3
[M-H]- 249.09210 158.9
[M+NH4]+ 268.13320 171.0
[M+K]+ 289.06254 159.7
[M+H-H2O]+ 233.09664 149.3
[M+HCOO]- 295.09758 172.6
[M+CH3COO]- 309.11323 165.2
[M+Na-2H]- 271.07405 160.3
[M]+ 250.09883 151.1
[M]- 250.09993 151.1
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.