CID 6451159

Beflubutamid

Structural Information

Molecular Formula
C18H17F4NO2
SMILES
CCC(C(=O)NCC1=CC=CC=C1)OC2=CC(=C(C=C2)F)C(F)(F)F
InChI
InChI=1S/C18H17F4NO2/c1-2-16(17(24)23-11-12-6-4-3-5-7-12)25-13-8-9-15(19)14(10-13)18(20,21)22/h3-10,16H,2,11H2,1H3,(H,23,24)
InChIKey
FFQPZWRNXKPNPX-UHFFFAOYSA-N
Compound name
N-benzyl-2-[4-fluoro-3-(trifluoromethyl)phenoxy]butanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

6
References

14548
Patents

355.11954 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12682 180.1
[M+Na]+ 378.10876 186.4
[M-H]- 354.11226 181.2
[M+NH4]+ 373.15336 192.3
[M+K]+ 394.08270 181.7
[M+H-H2O]+ 338.11680 168.5
[M+HCOO]- 400.11774 196.8
[M+CH3COO]- 414.13339 216.0
[M+Na-2H]- 376.09421 180.8
[M]+ 355.11899 176.3
[M]- 355.12009 176.3
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