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]+ 246.073636 149.7
[M+Na]+ 268.055578 160.1
[M-H]- 244.059084 148.8
[M+NH4]+ 263.100183 167.4
[M+K]+ 284.029518 157.1
[M+H-H2O]+ 228.063620 141.7
[M+HCOO]- 290.064561 162.7
[M+CH3COO]- 304.080211 189.8
[M+Na-2H]- 266.041026 156.5
[M]+ 245.06581142 145.2
[M]- 245.06690858 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.