CID 86724906

2-bromo-5-(bromomethyl)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 125.8
[M+Na]+ 295.86810 139.4
[M-H]- 271.87160 130.2
[M+NH4]+ 290.91270 144.0
[M+K]+ 311.84204 123.5
[M+H-H2O]+ 255.87614 127.8
[M+HCOO]- 317.87708 143.9
[M+CH3COO]- 331.89273 209.4
[M+Na-2H]- 293.85355 134.0
[M]+ 272.87833 152.6
[M]- 272.87943 152.6
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