CID 11823930

6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C16H10F3NO4
SMILES
COC1=CC2=C(C=C1)OC(=O)N(C2=O)C3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C16H10F3NO4/c1-23-11-6-7-13-12(8-11)14(21)20(15(22)24-13)10-4-2-9(3-5-10)16(17,18)19/h2-8H,1H3
InChIKey
ZIGRMDBZOOMKDB-UHFFFAOYSA-N
Compound name
6-methoxy-3-[4-(trifluoromethyl)phenyl]-1,3-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.05618 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06346 172.2
[M+Na]+ 360.04540 184.9
[M-H]- 336.04890 176.7
[M+NH4]+ 355.09000 184.6
[M+K]+ 376.01934 181.1
[M+H-H2O]+ 320.05344 161.0
[M+HCOO]- 382.05438 189.5
[M+CH3COO]- 396.07003 209.3
[M+Na-2H]- 358.03085 178.3
[M]+ 337.05563 174.2
[M]- 337.05673 174.2
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.