CID 350491

1547-87-1

Structural Information

Molecular Formula
C4H6F3NO
SMILES
CN(C)C(=O)C(F)(F)F
InChI
InChI=1S/C4H6F3NO/c1-8(2)3(9)4(5,6)7/h1-2H3
InChIKey
WXBWKMLIVXELSF-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

676
Patents

141.04015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04743 122.1
[M+Na]+ 164.02937 130.3
[M-H]- 140.03287 120.5
[M+NH4]+ 159.07397 144.2
[M+K]+ 180.00331 131.4
[M+H-H2O]+ 124.03741 115.4
[M+HCOO]- 186.03835 142.9
[M+CH3COO]- 200.05400 178.6
[M+Na-2H]- 162.01482 127.5
[M]+ 141.03960 118.8
[M]- 141.04070 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe