CID 118006

2-(3-phenoxyphenyl)propanenitrile

Structural Information

Molecular Formula
C15H13NO
SMILES
CC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C15H13NO/c1-12(11-16)13-6-5-9-15(10-13)17-14-7-3-2-4-8-14/h2-10,12H,1H3
InChIKey
JSCONFOVXYGOST-UHFFFAOYSA-N
Compound name
2-(3-phenoxyphenyl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

223.09972 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.106996 154.2
[M+Na]+ 246.088938 163.6
[M-H]- 222.092444 159.4
[M+NH4]+ 241.133543 170.2
[M+K]+ 262.062878 158.2
[M+H-H2O]+ 206.096980 140.4
[M+HCOO]- 268.097921 173.7
[M+CH3COO]- 282.113571 201.5
[M+Na-2H]- 244.074386 158.9
[M]+ 223.09917142 149.4
[M]- 223.10026858 149.4
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