CID 2797690

3,5-dibromobenzonitrile

Structural Information

Molecular Formula
C7H3Br2N
SMILES
C1=C(C=C(C=C1Br)Br)C#N
InChI
InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey
QUJGDNCWTBTBQD-UHFFFAOYSA-N
Compound name
3,5-dibromobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
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

literature stripe

Patent stripe

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