CID 4564338

2-amino-3-bromobenzonitrile

Structural Information

Molecular Formula
C7H5BrN2
SMILES
C1=CC(=C(C(=C1)Br)N)C#N
InChI
InChI=1S/C7H5BrN2/c8-6-3-1-2-5(4-9)7(6)10/h1-3H,10H2
InChIKey
RTIWACSVMFUEBF-UHFFFAOYSA-N
Compound name
2-amino-3-bromobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

195.96361 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.97089 135.1
[M+Na]+ 218.95283 139.2
[M+NH4]+ 213.99743 137.8
[M+K]+ 234.92677 135.7
[M-H]- 194.95633 130.5
[M+Na-2H]- 216.93828 137.3
[M]+ 195.96306 132.6
[M]- 195.96416 132.6
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