CID 532063

3-chloro-n-1-naphthylpropanamide

Structural Information

Molecular Formula
C13H12ClNO
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)CCCl
InChI
InChI=1S/C13H12ClNO/c14-9-8-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)
InChIKey
ISEAPHXDUWABSS-UHFFFAOYSA-N
Compound name
3-chloro-N-naphthalen-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

233.06075 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.2
[M+Na]+ 256.04997 157.3
[M-H]- 232.05347 153.5
[M+NH4]+ 251.09457 168.8
[M+K]+ 272.02391 152.1
[M+H-H2O]+ 216.05801 143.6
[M+HCOO]- 278.05895 168.3
[M+CH3COO]- 292.07460 191.9
[M+Na-2H]- 254.03542 156.5
[M]+ 233.06020 151.2
[M]- 233.06130 151.2
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