CID 3054646

Brn 2989720

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
CC(C(=O)N)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClNO2/c1-11(16(18)19)20-15-8-4-13(5-9-15)10-12-2-6-14(17)7-3-12/h2-9,11H,10H2,1H3,(H2,18,19)
InChIKey
KQKOZZHVIQQRJX-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09422 165.7
[M+Na]+ 312.07616 179.7
[M+NH4]+ 307.12076 173.9
[M+K]+ 328.05010 172.1
[M-H]- 288.07966 170.3
[M+Na-2H]- 310.06161 174.0
[M]+ 289.08639 169.3
[M]- 289.08749 169.3
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.