CID 21118951

Hxkmmqqyuzpstj-uhfffaoysa-n

Structural Information

Molecular Formula
C38H70O2
SMILES
CCCCCCCCCCCCCCC(C)C1=C(C=CC(=C1C(C)CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C38H70O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-33(3)37-35(39)31-32-36(40)38(37)34(4)30-28-26-24-22-20-18-16-14-12-10-8-6-2/h31-34,39-40H,5-30H2,1-4H3
InChIKey
HXKMMQQYUZPSTJ-UHFFFAOYSA-N
Compound name
2,3-di(hexadecan-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.5376 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.544876 259.7
[M+Na]+ 581.526818 255.8
[M-H]- 557.530324 255.7
[M+NH4]+ 576.571423 242.8
[M+K]+ 597.500758 247.4
[M+H-H2O]+ 541.534860 249.6
[M+HCOO]- 603.535801 252.7
[M+CH3COO]- 617.551451 260.6
[M+Na-2H]- 579.512266 247.0
[M]+ 558.53705142 269.0
[M]- 558.53814858 269.0
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.