CID 26598311

2-amino-5-bromo-3-chlorobenzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 136.7
[M+Na]+ 252.91386 152.5
[M-H]- 228.91736 141.5
[M+NH4]+ 247.95846 156.9
[M+K]+ 268.88780 138.9
[M+H-H2O]+ 212.92190 131.0
[M+HCOO]- 274.92284 154.3
[M+CH3COO]- 288.93849 199.3
[M+Na-2H]- 250.89931 143.1
[M]+ 229.92409 148.8
[M]- 229.92519 148.8
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