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]+ 224.03291 139.4
[M+Na]+ 246.01485 148.9
[M-H]- 222.01835 138.0
[M+NH4]+ 241.05945 157.2
[M+K]+ 261.98879 146.4
[M+H-H2O]+ 206.02289 130.5
[M+HCOO]- 268.02383 158.4
[M+CH3COO]- 282.03948 189.6
[M+Na-2H]- 244.00030 143.0
[M]+ 223.02508 134.0
[M]- 223.02618 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