CID 485942

2-[[6-chloro-2-oxo-4-(trifluoromethyl)-1h-3,1-benzoxazin-4-yl]oxy]acetonitrile

Structural Information

Molecular Formula
C11H6ClF3N2O3
SMILES
C1=CC2=C(C=C1Cl)C(OC(=O)N2)(C(F)(F)F)OCC#N
InChI
InChI=1S/C11H6ClF3N2O3/c12-6-1-2-8-7(5-6)10(11(13,14)15,19-4-3-16)20-9(18)17-8/h1-2,5H,4H2,(H,17,18)
InChIKey
UCVCAHOCGBZTML-UHFFFAOYSA-N
Compound name
2-[[6-chloro-2-oxo-4-(trifluoromethyl)-1H-3,1-benzoxazin-4-yl]oxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.0019 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.00918 155.4
[M+Na]+ 328.99112 168.1
[M-H]- 304.99462 153.9
[M+NH4]+ 324.03572 169.5
[M+K]+ 344.96506 162.3
[M+H-H2O]+ 288.99916 141.7
[M+HCOO]- 351.00010 162.2
[M+CH3COO]- 365.01575 207.5
[M+Na-2H]- 326.97657 161.8
[M]+ 306.00135 149.4
[M]- 306.00245 149.4
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.