CID 53425521

2-bromo-4-(bromomethyl)benzonitrile

Structural Information

Molecular Formula
C8H5Br2N
SMILES
C1=CC(=C(C=C1CBr)Br)C#N
InChI
InChI=1S/C8H5Br2N/c9-4-6-1-2-7(5-11)8(10)3-6/h1-3H,4H2
InChIKey
FOVQCPSLQZIRSB-UHFFFAOYSA-N
Compound name
2-bromo-4-(bromomethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

147
Patents

272.87888 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.88616 145.1
[M+Na]+ 295.86810 142.0
[M+NH4]+ 290.91270 146.0
[M+K]+ 311.84204 145.1
[M-H]- 271.87160 142.3
[M+Na-2H]- 293.85355 146.1
[M]+ 272.87833 142.5
[M]- 272.87943 142.5
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