CID 269656

2,2-difluoro-2-phenylacetamide

Structural Information

Molecular Formula
C8H7F2NO
SMILES
C1=CC=C(C=C1)C(C(=O)N)(F)F
InChI
InChI=1S/C8H7F2NO/c9-8(10,7(11)12)6-4-2-1-3-5-6/h1-5H,(H2,11,12)
InChIKey
QASPDCZPPDUIIE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

142
Patents

171.04958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.056856 131.3
[M+Na]+ 194.038798 138.8
[M-H]- 170.042304 132.0
[M+NH4]+ 189.083403 150.9
[M+K]+ 210.012738 136.6
[M+H-H2O]+ 154.046840 124.2
[M+HCOO]- 216.047781 152.3
[M+CH3COO]- 230.063431 180.1
[M+Na-2H]- 192.024246 137.5
[M]+ 171.04903142 126.3
[M]- 171.05012858 126.3
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