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]+ 273.98622 153.4
[M+Na]+ 295.96816 167.6
[M-H]- 271.97166 158.5
[M+NH4]+ 291.01276 172.3
[M+K]+ 311.94210 153.9
[M+H-H2O]+ 255.97620 146.7
[M+HCOO]- 317.97714 172.3
[M+CH3COO]- 331.99279 206.2
[M+Na-2H]- 293.95361 160.0
[M]+ 272.97839 165.9
[M]- 272.97949 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.