CID 51889837

2-chloro-n-methyl-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula
C5H7ClF3NO
SMILES
CN(CC(F)(F)F)C(=O)CCl
InChI
InChI=1S/C5H7ClF3NO/c1-10(4(11)2-6)3-5(7,8)9/h2-3H2,1H3
InChIKey
MTJCJMIEJODJJX-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

189.01683 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.02411 131.6
[M+Na]+ 212.00605 140.2
[M-H]- 188.00955 129.7
[M+NH4]+ 207.05065 152.6
[M+K]+ 227.97999 138.7
[M+H-H2O]+ 172.01409 125.5
[M+HCOO]- 234.01503 147.7
[M+CH3COO]- 248.03068 185.5
[M+Na-2H]- 209.99150 136.1
[M]+ 189.01628 130.7
[M]- 189.01738 130.7
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

patents stripe