CID 124219927

8-(2-bromoacetyl)naphthalene-2-carbonitrile

Structural Information

Molecular Formula
C13H8BrNO
SMILES
C1=CC2=C(C=C(C=C2)C#N)C(=C1)C(=O)CBr
InChI
InChI=1S/C13H8BrNO/c14-7-13(16)11-3-1-2-10-5-4-9(8-15)6-12(10)11/h1-6H,7H2
InChIKey
TVFUJJQGCHIJLI-UHFFFAOYSA-N
Compound name
8-(2-bromoacetyl)naphthalene-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.97894 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.986216 153.4
[M+Na]+ 295.968158 167.6
[M-H]- 271.971664 158.5
[M+NH4]+ 291.012763 172.3
[M+K]+ 311.942098 153.9
[M+H-H2O]+ 255.976200 146.7
[M+HCOO]- 317.977141 172.3
[M+CH3COO]- 331.992791 206.2
[M+Na-2H]- 293.953606 160.0
[M]+ 272.97839142 165.9
[M]- 272.97948858 165.9
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.