CID 4196088

3707-33-3

Structural Information

Molecular Formula
C17H14O2
SMILES
C1CC2=CC=CC=C2C(=CC(=O)O)C3=CC=CC=C31
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/h1-8,11H,9-10H2,(H,18,19)
InChIKey
ILBXUKMLUQJLHX-UHFFFAOYSA-N
Compound name
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 153.7
[M+Na]+ 273.08860 165.8
[M+NH4]+ 268.13320 162.1
[M+K]+ 289.06254 159.5
[M-H]- 249.09210 156.5
[M+Na-2H]- 271.07405 159.8
[M]+ 250.09883 156.3
[M]- 250.09993 156.3
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

patents stripe