CID 712452

92643-17-9

Structural Information

Molecular Formula
C13H10BrNO
SMILES
COC1=C(C2=C(C=C1)C=C(C=C2)Br)CC#N
InChI
InChI=1S/C13H10BrNO/c1-16-13-5-2-9-8-10(14)3-4-11(9)12(13)6-7-15/h2-5,8H,6H2,1H3
InChIKey
GZBQPAVETVFEEX-UHFFFAOYSA-N
Compound name
2-(6-bromo-2-methoxynaphthalen-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.99457 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.00185 152.5
[M+Na]+ 297.98379 158.2
[M+NH4]+ 293.02839 155.5
[M+K]+ 313.95773 153.2
[M-H]- 273.98729 148.2
[M+Na-2H]- 295.96924 154.6
[M]+ 274.99402 150.5
[M]- 274.99512 150.5
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

No patent data available for this compound.