CID 10330944

2-bromo-5-chlorobenzonitrile

Structural Information

Molecular Formula
C7H3BrClN
SMILES
C1=CC(=C(C=C1Cl)C#N)Br
InChI
InChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChIKey
CTSHRMBLMKPDAG-UHFFFAOYSA-N
Compound name
2-bromo-5-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

379
Patents

214.91374 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe