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

1374
Patents

310.19327 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.200546 177.6
[M+Na]+ 333.182488 182.5
[M-H]- 309.185994 182.1
[M+NH4]+ 328.227093 191.5
[M+K]+ 349.156428 177.1
[M+H-H2O]+ 293.190530 169.4
[M+HCOO]- 355.191471 197.7
[M+CH3COO]- 369.207121 206.7
[M+Na-2H]- 331.167936 178.7
[M]+ 310.19272142 179.6
[M]- 310.19381858 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

literature stripe

Patent stripe

patents stripe