CID 3723587

2-fluoro-5-(trifluoromethoxy)benzamide

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C(=O)N)F
InChI
InChI=1S/C8H5F4NO2/c9-6-2-1-4(15-8(10,11)12)3-5(6)7(13)14/h1-3H,(H2,13,14)
InChIKey
NYHOMJMCMKWNKT-UHFFFAOYSA-N
Compound name
2-fluoro-5-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

223.02563 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.032906 139.4
[M+Na]+ 246.014848 148.9
[M-H]- 222.018354 138.0
[M+NH4]+ 241.059453 157.2
[M+K]+ 261.988788 146.4
[M+H-H2O]+ 206.022890 130.5
[M+HCOO]- 268.023831 158.4
[M+CH3COO]- 282.039481 189.6
[M+Na-2H]- 244.000296 143.0
[M]+ 223.02508142 134.0
[M]- 223.02617858 134.0
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