CID 14981958

1,4-bis(2-ethylhexyl)benzene

Structural Information

Molecular Formula
C22H38
SMILES
CCCCC(CC)CC1=CC=C(C=C1)CC(CC)CCCC
InChI
InChI=1S/C22H38/c1-5-9-11-19(7-3)17-21-13-15-22(16-14-21)18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
InChIKey
KGDLKOAYUABDIH-UHFFFAOYSA-N
Compound name
1,4-bis(2-ethylhexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3750
Patents

302.29736 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.30464 184.0
[M+Na]+ 325.28658 186.3
[M-H]- 301.29008 185.6
[M+NH4]+ 320.33118 199.3
[M+K]+ 341.26052 182.1
[M+H-H2O]+ 285.29462 176.4
[M+HCOO]- 347.29556 202.1
[M+CH3COO]- 361.31121 213.3
[M+Na-2H]- 323.27203 181.9
[M]+ 302.29681 187.7
[M]- 302.29791 187.7
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