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

76
Patents

257.02753 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.03481 146.6
[M+Na]+ 280.01675 156.3
[M-H]- 256.02025 142.7
[M+NH4]+ 275.06135 163.0
[M+K]+ 295.99069 152.6
[M+H-H2O]+ 240.02479 136.4
[M+HCOO]- 302.02573 161.2
[M+CH3COO]- 316.04138 196.2
[M+Na-2H]- 278.00220 149.2
[M]+ 257.02698 136.8
[M]- 257.02808 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