CID 477125

6-chloro-4-ethyl-4-(trifluoromethyl)-1h-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C11H9ClF3NO2
SMILES
CCC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C(F)(F)F
InChI
InChI=1S/C11H9ClF3NO2/c1-2-10(11(13,14)15)7-5-6(12)3-4-8(7)16-9(17)18-10/h3-5H,2H2,1H3,(H,16,17)
InChIKey
QPGFDZKVPMAZHR-UHFFFAOYSA-N
Compound name
6-chloro-4-ethyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.0274 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03468 154.1
[M+Na]+ 302.01662 165.2
[M-H]- 278.02012 153.1
[M+NH4]+ 297.06122 171.3
[M+K]+ 317.99056 160.5
[M+H-H2O]+ 262.02466 146.8
[M+HCOO]- 324.02560 162.6
[M+CH3COO]- 338.04125 193.5
[M+Na-2H]- 300.00207 160.6
[M]+ 279.02685 151.7
[M]- 279.02795 151.7
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.