CID 93892

58743-77-4

Structural Information

Molecular Formula
C14H11NO
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3
InChIKey
RINYLKSNGRLNCU-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

508
Patents

209.08406 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 148.6
[M+Na]+ 232.07328 159.6
[M-H]- 208.07678 154.4
[M+NH4]+ 227.11788 165.5
[M+K]+ 248.04722 154.1
[M+H-H2O]+ 192.08132 135.2
[M+HCOO]- 254.08226 169.4
[M+CH3COO]- 268.09791 199.1
[M+Na-2H]- 230.05873 154.4
[M]+ 209.08351 144.5
[M]- 209.08461 144.5
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