CID 79016930

2-methyl-6-(trifluoromethyl)-3,4-dihydro-2h-benzo[b][1,4]oxazine

Structural Information

Molecular Formula
C10H10F3NO
SMILES
CC1CNC2=C(O1)C=CC(=C2)C(F)(F)F
InChI
InChI=1S/C10H10F3NO/c1-6-5-14-8-4-7(10(11,12)13)2-3-9(8)15-6/h2-4,6,14H,5H2,1H3
InChIKey
TWFYPTBFWDSAGZ-UHFFFAOYSA-N
Compound name
2-methyl-6-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.07144 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.07872 143.7
[M+Na]+ 240.06066 152.4
[M-H]- 216.06416 142.2
[M+NH4]+ 235.10526 160.3
[M+K]+ 256.03460 149.3
[M+H-H2O]+ 200.06870 135.1
[M+HCOO]- 262.06964 156.6
[M+CH3COO]- 276.08529 184.7
[M+Na-2H]- 238.04611 150.3
[M]+ 217.07089 137.3
[M]- 217.07199 137.3
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.