CID 477129

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

Structural Information

Molecular Formula
C15H9ClF3NO2S
SMILES
C1=CC=C(C=C1)SC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F
InChI
InChI=1S/C15H9ClF3NO2S/c16-9-6-7-12-11(8-9)14(15(17,18)19,22-13(21)20-12)23-10-4-2-1-3-5-10/h1-8H,(H,20,21)
InChIKey
YVZDZTKUAYGMHP-UHFFFAOYSA-N
Compound name
6-chloro-4-phenylsulfanyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.99945 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.00673 172.1
[M+Na]+ 381.98867 182.7
[M-H]- 357.99217 173.9
[M+NH4]+ 377.03327 186.0
[M+K]+ 397.96261 176.3
[M+H-H2O]+ 341.99671 163.2
[M+HCOO]- 403.99765 176.0
[M+CH3COO]- 418.01330 181.9
[M+Na-2H]- 379.97412 176.6
[M]+ 358.99890 171.3
[M]- 359.00000 171.3
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.