CID 99480

61984-68-7

Structural Information

Molecular Formula
C8H5F4NO
SMILES
C1=CC=C(C(=C1)NC(=O)C(F)(F)F)F
InChI
InChI=1S/C8H5F4NO/c9-5-3-1-2-4-6(5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKey
JDFHWMMKPFLLKV-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-(2-fluorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

207.03073 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03801 136.3
[M+Na]+ 230.01995 145.0
[M-H]- 206.02345 135.1
[M+NH4]+ 225.06455 154.9
[M+K]+ 245.99389 142.3
[M+H-H2O]+ 190.02799 127.4
[M+HCOO]- 252.02893 155.7
[M+CH3COO]- 266.04458 186.3
[M+Na-2H]- 228.00540 141.6
[M]+ 207.03018 130.0
[M]- 207.03128 130.0
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

patents stripe