CID 3397

Flutamide

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

3529
References

145933
Patents

276.07217 Da
Monoisotopic Mass

3.3
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

literature stripe

Patent stripe

patents stripe