CID 2737540

2-fluoro-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H5F4NO
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(=O)N)F
InChI
InChI=1S/C8H5F4NO/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKey
DDLPGTOHZZKQLP-UHFFFAOYSA-N
Compound name
2-fluoro-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

207.03073 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.03801 147.1
[M+Na]+ 230.01995 154.4
[M+NH4]+ 225.06455 151.4
[M+K]+ 245.99389 150.3
[M-H]- 206.02345 142.9
[M+Na-2H]- 228.00540 149.8
[M]+ 207.03018 146.5
[M]- 207.03128 146.5
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