CID 116651

1,4-benzenediol, ditetradecyl-

Structural Information

Molecular Formula
C34H62O2
SMILES
CCCCCCCCCCCCCCC1=C(C=CC(=C1CCCCCCCCCCCCCC)O)O
InChI
InChI=1S/C34H62O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-32(34(36)30-29-33(31)35)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,35-36H,3-28H2,1-2H3
InChIKey
LHNGROZNMQUJLP-UHFFFAOYSA-N
Compound name
2,3-di(tetradecyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

502.47498 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 503.48226 241.1
[M+Na]+ 525.46420 239.4
[M-H]- 501.46770 237.8
[M+NH4]+ 520.50880 247.2
[M+K]+ 541.43814 230.9
[M+H-H2O]+ 485.47224 231.4
[M+HCOO]- 547.47318 254.4
[M+CH3COO]- 561.48883 247.7
[M+Na-2H]- 523.44965 232.9
[M]+ 502.47443 250.3
[M]- 502.47553 250.3
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

patents stripe