CID 3056716

73826-17-2

Structural Information

Molecular Formula
C13H12BrNO
SMILES
CC(C(=O)NC1=CC2=CC=CC=C2C=C1)Br
InChI
InChI=1S/C13H12BrNO/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,15,16)
InChIKey
WNSDBSZGYLEBOQ-UHFFFAOYSA-N
Compound name
2-bromo-N-naphthalen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.01022 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.017496 155.2
[M+Na]+ 299.999438 164.8
[M-H]- 276.002944 161.9
[M+NH4]+ 295.044043 175.4
[M+K]+ 315.973378 153.4
[M+H-H2O]+ 260.007480 154.5
[M+HCOO]- 322.008421 175.1
[M+CH3COO]- 336.024071 198.4
[M+Na-2H]- 297.984886 162.3
[M]+ 277.00967142 172.8
[M]- 277.01076858 172.8
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.