CID 519927

3,5-bis(trifluoromethyl)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

517
Patents

257.02753 Da
Monoisotopic Mass

3.1
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

literature stripe

Patent stripe

patents stripe