CID 81054

2-bromo-6-chlorobenzonitrile

Structural Information

Molecular Formula
C7H3BrClN
SMILES
C1=CC(=C(C(=C1)Br)C#N)Cl
InChI
InChI=1S/C7H3BrClN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKey
NVPXACXEVCJWCF-UHFFFAOYSA-N
Compound name
2-bromo-6-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

214.91374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.92102 133.1
[M+Na]+ 237.90296 139.0
[M+NH4]+ 232.94756 136.6
[M+K]+ 253.87690 134.6
[M-H]- 213.90646 128.5
[M+Na-2H]- 235.88841 136.3
[M]+ 214.91319 131.3
[M]- 214.91429 131.3
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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