CID 12325966

22433-90-5

Structural Information

Molecular Formula
C8H3BrN2
SMILES
C1=CC(=C(C(=C1)C#N)Br)C#N
InChI
InChI=1S/C8H3BrN2/c9-8-6(4-10)2-1-3-7(8)5-11/h1-3H
InChIKey
PCTWWYKFRYQMOH-UHFFFAOYSA-N
Compound name
2-bromobenzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

205.94797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.95525 141.9
[M+Na]+ 228.93719 155.5
[M-H]- 204.94069 145.7
[M+NH4]+ 223.98179 156.8
[M+K]+ 244.91113 145.3
[M+H-H2O]+ 188.94523 131.6
[M+HCOO]- 250.94617 157.3
[M+CH3COO]- 264.96182 215.2
[M+Na-2H]- 226.92264 146.6
[M]+ 205.94742 146.2
[M]- 205.94852 146.2
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

No patent data available for this compound.