CID 236431

91394-66-0

Structural Information

Molecular Formula
C12H10BrNO
SMILES
CC(=O)NC1=CC=C(C2=CC=CC=C21)Br
InChI
InChI=1S/C12H10BrNO/c1-8(15)14-12-7-6-11(13)9-4-2-3-5-10(9)12/h2-7H,1H3,(H,14,15)
InChIKey
KAVKNHPXAMTURG-UHFFFAOYSA-N
Compound name
N-(4-bromonaphthalen-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1058
Patents

262.99457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00185 146.6
[M+Na]+ 285.98379 151.0
[M+NH4]+ 281.02839 152.3
[M+K]+ 301.95773 150.0
[M-H]- 261.98729 148.7
[M+Na-2H]- 283.96924 151.1
[M]+ 262.99402 146.7
[M]- 262.99512 146.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe