CID 20455361

2-amino-3-bromo-5-chlorobenzonitrile

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C1=C(C=C(C(=C1C#N)N)Br)Cl
InChI
InChI=1S/C7H4BrClN2/c8-6-2-5(9)1-4(3-10)7(6)11/h1-2H,11H2
InChIKey
BWYLAELWYGJTEX-UHFFFAOYSA-N
Compound name
2-amino-3-bromo-5-chlorobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

229.92464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.93192 138.5
[M+Na]+ 252.91386 143.5
[M+NH4]+ 247.95846 141.4
[M+K]+ 268.88780 139.6
[M-H]- 228.91736 134.0
[M+Na-2H]- 250.89931 140.7
[M]+ 229.92409 136.5
[M]- 229.92519 136.5
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