CID 477131

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

Structural Information

Molecular Formula
C11H7ClF3NO2
SMILES
C=CC1(C2=C(C=CC(=C2)Cl)NC(=O)O1)C(F)(F)F
InChI
InChI=1S/C11H7ClF3NO2/c1-2-10(11(13,14)15)7-5-6(12)3-4-8(7)16-9(17)18-10/h2-5H,1H2,(H,16,17)
InChIKey
UQNPTLUNFOZVGD-UHFFFAOYSA-N
Compound name
6-chloro-4-ethenyl-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.01175 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.01903 152.9
[M+Na]+ 300.00097 164.3
[M-H]- 276.00447 151.9
[M+NH4]+ 295.04557 170.1
[M+K]+ 315.97491 159.0
[M+H-H2O]+ 260.00901 145.7
[M+HCOO]- 322.00995 161.6
[M+CH3COO]- 336.02560 192.7
[M+Na-2H]- 297.98642 159.4
[M]+ 277.01120 149.9
[M]- 277.01230 149.9
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.