CID 7131835

2-chloro-n-{2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl}acetamide

Structural Information

Molecular Formula
C12H14ClF2NO3
SMILES
COC1=C(C=CC(=C1)CCNC(=O)CCl)OC(F)F
InChI
InChI=1S/C12H14ClF2NO3/c1-18-10-6-8(4-5-16-11(17)7-13)2-3-9(10)19-12(14)15/h2-3,6,12H,4-5,7H2,1H3,(H,16,17)
InChIKey
NTRZLLZMJSGTHI-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06302 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07030 160.2
[M+Na]+ 316.05224 169.4
[M+NH4]+ 311.09684 165.5
[M+K]+ 332.02618 164.1
[M-H]- 292.05574 158.3
[M+Na-2H]- 314.03769 163.6
[M]+ 293.06247 160.8
[M]- 293.06357 160.8
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.