CID 485927

Chembl17406

Structural Information

Molecular Formula
C11H9ClF3NO3
SMILES
CCOC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C(F)(F)F
InChI
InChI=1S/C11H9ClF3NO3/c1-2-18-10(11(13,14)15)7-5-6(12)3-4-8(7)16-9(17)19-10/h3-5H,2H2,1H3,(H,16,17)
InChIKey
VRJVIDKHKBXXDB-UHFFFAOYSA-N
Compound name
6-chloro-4-ethoxy-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.0223 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.02958 156.8
[M+Na]+ 318.01152 167.7
[M-H]- 294.01502 155.8
[M+NH4]+ 313.05612 173.2
[M+K]+ 333.98546 163.6
[M+H-H2O]+ 278.01956 149.3
[M+HCOO]- 340.02050 165.5
[M+CH3COO]- 354.03615 195.7
[M+Na-2H]- 315.99697 163.5
[M]+ 295.02175 155.9
[M]- 295.02285 155.9
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

No patent data available for this compound.