CID 5287785

(r)-3-bromo-2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)propanamide

Structural Information

Molecular Formula
C11H10BrF3N2O4
SMILES
C[C@](CBr)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O
InChI
InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1
InChIKey
QDSWNDMHSBZXKX-JTQLQIEISA-N
Compound name
(2R)-3-bromo-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

176
Patents

369.9776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.98488 171.8
[M+Na]+ 392.96682 181.0
[M-H]- 368.97032 173.0
[M+NH4]+ 388.01142 186.0
[M+K]+ 408.94076 165.2
[M+H-H2O]+ 352.97486 172.6
[M+HCOO]- 414.97580 187.1
[M+CH3COO]- 428.99145 203.4
[M+Na-2H]- 390.95227 178.4
[M]+ 369.97705 184.9
[M]- 369.97815 184.9
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