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 165.6
[M+Na]+ 312.07616 172.8
[M-H]- 288.07966 171.7
[M+NH4]+ 307.12076 181.4
[M+K]+ 328.05010 167.8
[M+H-H2O]+ 272.08420 158.7
[M+HCOO]- 334.08514 183.9
[M+CH3COO]- 348.10079 203.2
[M+Na-2H]- 310.06161 167.6
[M]+ 289.08639 167.7
[M]- 289.08749 167.7
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

No patent data available for this compound.