CID 521817

68398-19-6

Structural Information

Molecular Formula
C18H22
SMILES
CCC(C1=CC=CC=C1)C(CC)C2=CC=CC=C2
InChI
InChI=1S/C18H22/c1-3-17(15-11-7-5-8-12-15)18(4-2)16-13-9-6-10-14-16/h5-14,17-18H,3-4H2,1-2H3
InChIKey
JTJWVUQPSOFEPZ-UHFFFAOYSA-N
Compound name
4-phenylhexan-3-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
Patents

238.17215 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17943 158.6
[M+Na]+ 261.16137 163.0
[M-H]- 237.16487 164.3
[M+NH4]+ 256.20597 175.7
[M+K]+ 277.13531 159.0
[M+H-H2O]+ 221.16941 150.9
[M+HCOO]- 283.17035 179.7
[M+CH3COO]- 297.18600 195.9
[M+Na-2H]- 259.14682 162.1
[M]+ 238.17160 157.8
[M]- 238.17270 157.8
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