CID 22010119

2,3-difluoro-6-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C8H4F5NO
SMILES
C1=CC(=C(C(=C1C(F)(F)F)C(=O)N)F)F
InChI
InChI=1S/C8H4F5NO/c9-4-2-1-3(8(11,12)13)5(6(4)10)7(14)15/h1-2H,(H2,14,15)
InChIKey
GGCPJJFCTISPMQ-UHFFFAOYSA-N
Compound name
2,3-difluoro-6-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

13
Patents

225.0213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.028576 138.8
[M+Na]+ 248.010518 149.3
[M-H]- 224.014024 136.5
[M+NH4]+ 243.055123 156.8
[M+K]+ 263.984458 145.9
[M+H-H2O]+ 208.018560 129.4
[M+HCOO]- 270.019501 156.5
[M+CH3COO]- 284.035151 191.7
[M+Na-2H]- 245.995966 141.0
[M]+ 225.02075142 131.1
[M]- 225.02184858 131.1
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