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]+ 277.07945 153.2
[M+Na]+ 299.06139 160.0
[M-H]- 275.06489 153.3
[M+NH4]+ 294.10599 168.4
[M+K]+ 315.03533 154.0
[M+H-H2O]+ 259.06943 149.4
[M+HCOO]- 321.07037 173.1
[M+CH3COO]- 335.08602 195.3
[M+Na-2H]- 297.04684 157.5
[M]+ 276.07162 148.0
[M]- 276.07272 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.