CID 4182272

N-(2,2,2-trichloro-1-phenoxy-ethyl)-acetamide

Structural Information

Molecular Formula
C10H10Cl3NO2
SMILES
CC(=O)NC(C(Cl)(Cl)Cl)OC1=CC=CC=C1
InChI
InChI=1S/C10H10Cl3NO2/c1-7(15)14-9(10(11,12)13)16-8-5-3-2-4-6-8/h2-6,9H,1H3,(H,14,15)
InChIKey
JHGPJLGGWSOMDC-UHFFFAOYSA-N
Compound name
N-(2,2,2-trichloro-1-phenoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.97772 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.98500 155.8
[M+Na]+ 303.96694 163.3
[M-H]- 279.97044 157.8
[M+NH4]+ 299.01154 172.6
[M+K]+ 319.94088 158.4
[M+H-H2O]+ 263.97498 152.4
[M+HCOO]- 325.97592 163.3
[M+CH3COO]- 339.99157 196.6
[M+Na-2H]- 301.95239 159.7
[M]+ 280.97717 159.0
[M]- 280.97827 159.0
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.