CID 2777953

4-phenoxyphenylacetonitrile

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CC#N
InChI
InChI=1S/C14H11NO/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
PCOVIPKFOQOPEH-UHFFFAOYSA-N
Compound name
2-(4-phenoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

209.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.091336 148.8
[M+Na]+ 232.073278 159.0
[M-H]- 208.076784 154.2
[M+NH4]+ 227.117883 165.5
[M+K]+ 248.047218 153.4
[M+H-H2O]+ 192.081320 135.2
[M+HCOO]- 254.082261 169.6
[M+CH3COO]- 268.097911 198.1
[M+Na-2H]- 230.058726 155.3
[M]+ 209.08351142 144.4
[M]- 209.08460858 144.4
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