CID 67881

2,2,2-trifluoro-n-phenylacetamide

Structural Information

Molecular Formula
C8H6F3NO
SMILES
C1=CC=C(C=C1)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H6F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-5H,(H,12,13)
InChIKey
SAPQIENQEZURNZ-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

916
Patents

189.04015 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04743 133.9
[M+Na]+ 212.02937 141.6
[M-H]- 188.03287 133.8
[M+NH4]+ 207.07397 153.0
[M+K]+ 228.00331 139.3
[M+H-H2O]+ 172.03741 125.8
[M+HCOO]- 234.03835 154.5
[M+CH3COO]- 248.05400 182.3
[M+Na-2H]- 210.01482 140.5
[M]+ 189.03960 128.5
[M]- 189.04070 128.5
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