CID 93893

4-cyano-4'-ethoxybiphenyl

Structural Information

Molecular Formula
C15H13NO
SMILES
CCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3
InChIKey
VETJRGXWDLHERN-UHFFFAOYSA-N
Compound name
4-(4-ethoxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

64
Patents

223.09972 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 152.6
[M+Na]+ 246.088938 163.2
[M-H]- 222.092444 158.2
[M+NH4]+ 241.133543 169.0
[M+K]+ 262.062878 157.5
[M+H-H2O]+ 206.096980 139.1
[M+HCOO]- 268.097921 173.1
[M+CH3COO]- 282.113571 201.8
[M+Na-2H]- 244.074386 157.9
[M]+ 223.09917142 148.8
[M]- 223.10026858 148.8
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