CID 2736099

2,4-bis(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C9H5F6NO
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(F)(F)F)C(=O)N
InChI
InChI=1S/C9H5F6NO/c10-8(11,12)4-1-2-5(7(16)17)6(3-4)9(13,14)15/h1-3H,(H2,16,17)
InChIKey
UFXIIQGMMJQZPG-UHFFFAOYSA-N
Compound name
2,4-bis(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

257.02753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.034806 146.6
[M+Na]+ 280.016748 156.3
[M-H]- 256.020254 142.7
[M+NH4]+ 275.061353 163.0
[M+K]+ 295.990688 152.6
[M+H-H2O]+ 240.024790 136.4
[M+HCOO]- 302.025731 161.2
[M+CH3COO]- 316.041381 196.2
[M+Na-2H]- 278.002196 149.2
[M]+ 257.02698142 136.8
[M]- 257.02807858 136.8
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