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]+ 278.01750 155.2
[M+Na]+ 299.99944 164.8
[M-H]- 276.00294 161.9
[M+NH4]+ 295.04404 175.4
[M+K]+ 315.97338 153.4
[M+H-H2O]+ 260.00748 154.5
[M+HCOO]- 322.00842 175.1
[M+CH3COO]- 336.02407 198.4
[M+Na-2H]- 297.98489 162.3
[M]+ 277.00967 172.8
[M]- 277.01077 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.