CID 20270707

3,4-dibromobenzonitrile

Structural Information

Molecular Formula
C7H3Br2N
SMILES
C1=CC(=C(C=C1C#N)Br)Br
InChI
InChI=1S/C7H3Br2N/c8-6-2-1-5(4-10)3-7(6)9/h1-3H
InChIKey
WODPYGNFQNGQJU-UHFFFAOYSA-N
Compound name
3,4-dibromobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

258.86322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.87050 141.9
[M+Na]+ 281.85244 139.0
[M+NH4]+ 276.89704 143.0
[M+K]+ 297.82638 142.2
[M-H]- 257.85594 139.3
[M+Na-2H]- 279.83789 143.2
[M]+ 258.86267 139.4
[M]- 258.86377 139.4
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