CID 563406

N-benzyl-2,2,2-trifluoro-n-methylacetamide

Structural Information

Molecular Formula
C10H10F3NO
SMILES
CN(CC1=CC=CC=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C10H10F3NO/c1-14(9(15)10(11,12)13)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
VGRXJRLQGWBMQL-UHFFFAOYSA-N
Compound name
N-benzyl-2,2,2-trifluoro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

217.07144 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 143.0
[M+Na]+ 240.06066 150.1
[M-H]- 216.06416 144.1
[M+NH4]+ 235.10526 161.7
[M+K]+ 256.03460 148.7
[M+H-H2O]+ 200.06870 134.3
[M+HCOO]- 262.06964 163.5
[M+CH3COO]- 276.08529 191.9
[M+Na-2H]- 238.04611 147.9
[M]+ 217.07089 139.7
[M]- 217.07199 139.7
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