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

6
Patents

250.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.106656 153.3
[M+Na]+ 273.088598 159.6
[M-H]- 249.092104 158.5
[M+NH4]+ 268.133203 170.9
[M+K]+ 289.062538 158.5
[M+H-H2O]+ 233.096640 149.2
[M+HCOO]- 295.097581 171.4
[M+CH3COO]- 309.113231 164.7
[M+Na-2H]- 271.074046 159.3
[M]+ 250.09883142 149.0
[M]- 250.09992858 149.0
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

patents stripe