CID 4625493

5-(4-bromophenyl)furan-2-carbonitrile

Structural Information

Molecular Formula
C11H6BrNO
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C#N)Br
InChI
InChI=1S/C11H6BrNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H
InChIKey
GJJXDBAOTCRRSG-UHFFFAOYSA-N
Compound name
5-(4-bromophenyl)furan-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.96329 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.970566 146.0
[M+Na]+ 269.952508 161.2
[M-H]- 245.956014 153.6
[M+NH4]+ 264.997113 165.3
[M+K]+ 285.926448 149.4
[M+H-H2O]+ 229.960550 139.1
[M+HCOO]- 291.961491 167.4
[M+CH3COO]- 305.977141 160.4
[M+Na-2H]- 267.937956 152.7
[M]+ 246.96274142 159.2
[M]- 246.96383858 159.2
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

patents stripe