CID 83397527

1517344-87-4

Structural Information

Molecular Formula
C11H10F3NO2
SMILES
CC1(C(=O)NC2=C(O1)C=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C11H10F3NO2/c1-10(2)9(16)15-7-5-6(11(12,13)14)3-4-8(7)17-10/h3-5H,1-2H3,(H,15,16)
InChIKey
KVGQIRCTCZFWNN-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-(trifluoromethyl)-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.06636 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.07364 149.7
[M+Na]+ 268.05558 160.1
[M-H]- 244.05908 148.8
[M+NH4]+ 263.10018 167.4
[M+K]+ 284.02952 157.1
[M+H-H2O]+ 228.06362 141.7
[M+HCOO]- 290.06456 162.7
[M+CH3COO]- 304.08021 189.8
[M+Na-2H]- 266.04103 156.5
[M]+ 245.06581 145.2
[M]- 245.06691 145.2
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.