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

1370
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 177.6
[M+Na]+ 333.18249 182.5
[M-H]- 309.18599 182.1
[M+NH4]+ 328.22709 191.5
[M+K]+ 349.15643 177.1
[M+H-H2O]+ 293.19053 169.4
[M+HCOO]- 355.19147 197.7
[M+CH3COO]- 369.20712 206.7
[M+Na-2H]- 331.16794 178.7
[M]+ 310.19272 179.6
[M]- 310.19382 179.6
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.