CID 3419540

64468-77-5

Structural Information

Molecular Formula
C11H7NO
SMILES
C1=COC(=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C11H7NO/c12-8-9-3-5-10(6-4-9)11-2-1-7-13-11/h1-7H
InChIKey
ZCUXWFVAKYORDX-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

169.05276 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.060036 136.1
[M+Na]+ 192.041978 147.6
[M-H]- 168.045484 142.3
[M+NH4]+ 187.086583 154.7
[M+K]+ 208.015918 143.7
[M+H-H2O]+ 152.050020 123.2
[M+HCOO]- 214.050961 157.7
[M+CH3COO]- 228.066611 149.3
[M+Na-2H]- 190.027426 142.7
[M]+ 169.05221142 132.0
[M]- 169.05330858 132.0
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