CID 20296667

2-bromo-6-formylbenzonitrile

Structural Information

Molecular Formula
C8H4BrNO
SMILES
C1=CC(=C(C(=C1)Br)C#N)C=O
InChI
InChI=1S/C8H4BrNO/c9-8-3-1-2-6(5-11)7(8)4-10/h1-3,5H
InChIKey
ARJDOXNDDNCROH-UHFFFAOYSA-N
Compound name
2-bromo-6-formylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.94763 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.95491 135.1
[M+Na]+ 231.93685 139.9
[M+NH4]+ 226.98145 137.6
[M+K]+ 247.91079 136.3
[M-H]- 207.94035 129.9
[M+Na-2H]- 229.92230 137.5
[M]+ 208.94708 132.6
[M]- 208.94818 132.6
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