CID 13232951

Nickel, bis((2-(hydroxy-kappao)-4-octylphenyl)phenylmethanonato-kappao)-

Structural Information

Molecular Formula
C21H26O2
SMILES
CCCCCCCCC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C21H26O2/c1-2-3-4-5-6-8-11-17-14-15-19(20(22)16-17)21(23)18-12-9-7-10-13-18/h7,9-10,12-16,22H,2-6,8,11H2,1H3
InChIKey
VVUWYXJTOLSMFV-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-octylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1555
Patents

310.19327 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.20055 178.3
[M+Na]+ 333.18249 191.9
[M+NH4]+ 328.22709 186.0
[M+K]+ 349.15643 182.8
[M-H]- 309.18599 182.4
[M+Na-2H]- 331.16794 185.8
[M]+ 310.19272 181.5
[M]- 310.19382 181.5
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