CID 124158777

Hierridin c

Structural Information

Molecular Formula

C₂₃H₃₉ClO₃

SMILES

CCCCCCCCCCCCCCCC1=C(C(=CC(=C1Cl)OC)OC)O

InChI

InChI=1S/C23H39ClO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(24)20(26-2)18-21(27-3)23(19)25/h18,25H,4-17H2,1-3H3

InChIKey

LOYIDEKETTZLFY-UHFFFAOYSA-N

Compound name

3-chloro-4,6-dimethoxy-2-pentadecylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 398.25876 Da
Monoisotopic Mass: 10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	399.26604	201.7
[M+Na]+	421.24798	207.0
[M-H]-	397.25148	202.5
[M+NH4]+	416.29258	214.2
[M+K]+	437.22192	200.6
[M+H-H2O]+	381.25602	194.8
[M+HCOO]-	443.25696	216.1
[M+CH3COO]-	457.27261	224.8
[M+Na-2H]-	419.23343	198.8
[M]+	398.25821	212.7
[M]-	398.25931	212.7

Literature stripe

literature stripe

Patent stripe

patents stripe