CID 657081

2,3,5,6-tetrafluoro-4-methoxy-benzamide

Structural Information

Molecular Formula
C8H5F4NO2
SMILES
COC1=C(C(=C(C(=C1F)F)C(=O)N)F)F
InChI
InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14)
InChIKey
JTXPTSGPUNTKSM-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

48
Patents

223.02563 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.032906 138.1
[M+Na]+ 246.014848 149.8
[M-H]- 222.018354 137.5
[M+NH4]+ 241.059453 156.7
[M+K]+ 261.988788 147.0
[M+H-H2O]+ 206.022890 129.3
[M+HCOO]- 268.023831 158.6
[M+CH3COO]- 282.039481 193.7
[M+Na-2H]- 244.000296 138.9
[M]+ 223.02508142 134.5
[M]- 223.02617858 134.5
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