CID 532274

2-chloro-n-1-naphthylpropanamide

Structural Information

Molecular Formula
C13H12ClNO
SMILES
CC(C(=O)NC1=CC=CC2=CC=CC=C21)Cl
InChI
InChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,15,16)
InChIKey
HZEXEFBFZFWVOD-UHFFFAOYSA-N
Compound name
2-chloro-N-naphthalen-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

233.06075 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.3
[M+Na]+ 256.04997 157.1
[M-H]- 232.05347 153.6
[M+NH4]+ 251.09457 168.8
[M+K]+ 272.02391 152.4
[M+H-H2O]+ 216.05801 143.8
[M+HCOO]- 278.05895 167.4
[M+CH3COO]- 292.07460 192.8
[M+Na-2H]- 254.03542 155.4
[M]+ 233.06020 150.7
[M]- 233.06130 150.7
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

patents stripe