CID 11055786

1,4-dioctylbenzene

Structural Information

Molecular Formula
C22H38
SMILES
CCCCCCCCC1=CC=C(C=C1)CCCCCCCC
InChI
InChI=1S/C22H38/c1-3-5-7-9-11-13-15-21-17-19-22(20-18-21)16-14-12-10-8-6-4-2/h17-20H,3-16H2,1-2H3
InChIKey
WNLMYIPOMNQVLC-UHFFFAOYSA-N
Compound name
1,4-dioctylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

302.29736 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.30464 182.9
[M+Na]+ 325.28658 185.7
[M-H]- 301.29008 184.3
[M+NH4]+ 320.33118 198.4
[M+K]+ 341.26052 180.6
[M+H-H2O]+ 285.29462 175.1
[M+HCOO]- 347.29556 203.1
[M+CH3COO]- 361.31121 211.8
[M+Na-2H]- 323.27203 183.4
[M]+ 302.29681 188.0
[M]- 302.29791 188.0
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