CID 43551

3,4-diethylbiphenyl

Structural Information

Molecular Formula
C16H18
SMILES
CCC1=C(C=C(C=C1)C2=CC=CC=C2)CC
InChI
InChI=1S/C16H18/c1-3-13-10-11-16(12-14(13)4-2)15-8-6-5-7-9-15/h5-12H,3-4H2,1-2H3
InChIKey
ZTLWBQOFTIFRHI-UHFFFAOYSA-N
Compound name
1,2-diethyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

210.14085 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.148126 147.7
[M+Na]+ 233.130068 155.5
[M-H]- 209.133574 154.6
[M+NH4]+ 228.174673 166.9
[M+K]+ 249.104008 151.2
[M+H-H2O]+ 193.138110 140.8
[M+HCOO]- 255.139051 171.6
[M+CH3COO]- 269.154701 190.4
[M+Na-2H]- 231.115516 153.5
[M]+ 210.14030142 148.4
[M]- 210.14139858 148.4
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