CID 3380339

N-(2-pyridyl)-2,2,2-trichloroacetamide

Structural Information

Molecular Formula
C7H5Cl3N2O
SMILES
C1=CC=NC(=C1)NC(=O)C(Cl)(Cl)Cl
InChI
InChI=1S/C7H5Cl3N2O/c8-7(9,10)6(13)12-5-3-1-2-4-11-5/h1-4H,(H,11,12,13)
InChIKey
ZNMGIGITRCYFRN-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-N-pyridin-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.94675 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95403 144.3
[M+Na]+ 260.93597 153.1
[M-H]- 236.93947 145.0
[M+NH4]+ 255.98057 161.4
[M+K]+ 276.90991 148.0
[M+H-H2O]+ 220.94401 139.9
[M+HCOO]- 282.94495 151.8
[M+CH3COO]- 296.96060 187.8
[M+Na-2H]- 258.92142 150.8
[M]+ 237.94620 145.6
[M]- 237.94730 145.6
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

patents stripe