CID 384646

O-flutamide

Structural Information

Molecular Formula
C11H11F3N2O3
SMILES
CC(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-8-5-7(11(12,13)14)3-4-9(8)16(18)19/h3-6H,1-2H3,(H,15,17)
InChIKey
ZMFQELZYFBRXFJ-UHFFFAOYSA-N
Compound name
2-methyl-N-[2-nitro-5-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.07217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.079446 153.2
[M+Na]+ 299.061388 160.0
[M-H]- 275.064894 153.3
[M+NH4]+ 294.105993 168.4
[M+K]+ 315.035328 154.0
[M+H-H2O]+ 259.069430 149.4
[M+HCOO]- 321.070371 173.1
[M+CH3COO]- 335.086021 195.3
[M+Na-2H]- 297.046836 157.5
[M]+ 276.07162142 148.0
[M]- 276.07271858 148.0
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

No patent data available for this compound.