CID 79752

3-ethylbiphenyl

Structural Information

Molecular Formula
C14H14
SMILES
CCC1=CC(=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C14H14/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13/h3-11H,2H2,1H3
InChIKey
HUXKTWJQSHBZIV-UHFFFAOYSA-N
Compound name
1-ethyl-3-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

841
Patents

182.10954 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11682 138.9
[M+Na]+ 205.09876 146.6
[M-H]- 181.10226 145.7
[M+NH4]+ 200.14336 158.8
[M+K]+ 221.07270 142.7
[M+H-H2O]+ 165.10680 132.1
[M+HCOO]- 227.10774 163.4
[M+CH3COO]- 241.12339 183.3
[M+Na-2H]- 203.08421 146.5
[M]+ 182.10899 138.4
[M]- 182.11009 138.4
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