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]+ 247.97057 146.0
[M+Na]+ 269.95251 161.2
[M-H]- 245.95601 153.6
[M+NH4]+ 264.99711 165.3
[M+K]+ 285.92645 149.4
[M+H-H2O]+ 229.96055 139.1
[M+HCOO]- 291.96149 167.4
[M+CH3COO]- 305.97714 160.4
[M+Na-2H]- 267.93796 152.7
[M]+ 246.96274 159.2
[M]- 246.96384 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