CID 591519

2,2,2-trichloro-n-(3-methoxyphenyl)acetamide

Structural Information

Molecular Formula
C9H8Cl3NO2
SMILES
COC1=CC=CC(=C1)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C9H8Cl3NO2/c1-15-7-4-2-3-6(5-7)13-8(14)9(10,11)12/h2-5H,1H3,(H,13,14)
InChIKey
HXQCYUNJEDBITG-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.96207 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.96935 151.9
[M+Na]+ 289.95129 161.0
[M-H]- 265.95479 154.3
[M+NH4]+ 284.99589 169.7
[M+K]+ 305.92523 155.9
[M+H-H2O]+ 249.95933 148.8
[M+HCOO]- 311.96027 160.6
[M+CH3COO]- 325.97592 194.1
[M+Na-2H]- 287.93674 156.8
[M]+ 266.96152 155.6
[M]- 266.96262 155.6
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.