CID 64788153

2-iodo-n-(2,2,2-trifluoroethyl)acetamide

Structural Information

Molecular Formula
C4H5F3INO
SMILES
C(C(=O)NCC(F)(F)F)I
InChI
InChI=1S/C4H5F3INO/c5-4(6,7)2-9-3(10)1-8/h1-2H2,(H,9,10)
InChIKey
LNBNYDPZMGZMIE-UHFFFAOYSA-N
Compound name
2-iodo-N-(2,2,2-trifluoroethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

266.9368 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.94408 138.6
[M+Na]+ 289.92602 139.3
[M-H]- 265.92952 128.9
[M+NH4]+ 284.97062 154.2
[M+K]+ 305.89996 144.3
[M+H-H2O]+ 249.93406 128.2
[M+HCOO]- 311.93500 153.6
[M+CH3COO]- 325.95065 186.6
[M+Na-2H]- 287.91147 131.7
[M]+ 266.93625 131.9
[M]- 266.93735 131.9
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.