CID 520185

2512-56-3

Structural Information

Molecular Formula
C21H26O3
SMILES
CCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C21H26O3/c1-2-3-4-5-6-7-10-17-13-15-18(16-14-17)24-21(23)19-11-8-9-12-20(19)22/h8-9,11-16,22H,2-7,10H2,1H3
InChIKey
VNFXPOAMRORRJJ-UHFFFAOYSA-N
Compound name
(4-octylphenyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10417
Patents

326.1882 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.195476 181.2
[M+Na]+ 349.177418 186.0
[M-H]- 325.180924 185.6
[M+NH4]+ 344.222023 194.4
[M+K]+ 365.151358 181.3
[M+H-H2O]+ 309.185460 172.7
[M+HCOO]- 371.186401 201.5
[M+CH3COO]- 385.202051 208.1
[M+Na-2H]- 347.162866 182.3
[M]+ 326.18765142 184.4
[M]- 326.18874858 184.4
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