CID 104171

[1,1'-biphenyl]-4-carbonitrile, 4'-(pentyloxy)-

Structural Information

Molecular Formula
C18H19NO
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C18H19NO/c1-2-3-4-13-20-18-11-9-17(10-12-18)16-7-5-15(14-19)6-8-16/h5-12H,2-4,13H2,1H3
InChIKey
RDISTOCQRJJICR-UHFFFAOYSA-N
Compound name
4-(4-pentoxyphenyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

84
References

670
Patents

265.14667 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15395 164.6
[M+Na]+ 288.13589 174.0
[M-H]- 264.13939 169.7
[M+NH4]+ 283.18049 179.4
[M+K]+ 304.10983 167.6
[M+H-H2O]+ 248.14393 150.4
[M+HCOO]- 310.14487 184.2
[M+CH3COO]- 324.16052 209.8
[M+Na-2H]- 286.12134 168.4
[M]+ 265.14612 161.7
[M]- 265.14722 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.