CID 122163559

6-bromo-8-(trifluoromethyl)-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C9H7BrF3NO
SMILES
C1COC2=C(C=C(C=C2N1)Br)C(F)(F)F
InChI
InChI=1S/C9H7BrF3NO/c10-5-3-6(9(11,12)13)8-7(4-5)14-1-2-15-8/h3-4,14H,1-2H2
InChIKey
KCHMSPNPXJRRCR-UHFFFAOYSA-N
Compound name
6-bromo-8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9663 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97358 155.5
[M+Na]+ 303.95552 167.2
[M-H]- 279.95902 156.9
[M+NH4]+ 299.00012 173.1
[M+K]+ 319.92946 155.9
[M+H-H2O]+ 263.96356 153.3
[M+HCOO]- 325.96450 166.8
[M+CH3COO]- 339.98015 191.6
[M+Na-2H]- 301.94097 162.8
[M]+ 280.96575 167.7
[M]- 280.96685 167.7
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.