CID 162342717

C90736

Structural Information

Molecular Formula
C10H9F2NO3
SMILES
COC(=O)C1=CC2=C(C=C1)OC(CN2)(F)F
InChI
InChI=1S/C10H9F2NO3/c1-15-9(14)6-2-3-8-7(4-6)13-5-10(11,12)16-8/h2-4,13H,5H2,1H3
InChIKey
HELABZWQIGOJSY-UHFFFAOYSA-N
Compound name
methyl 2,2-difluoro-3,4-dihydro-1,4-benzoxazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05505 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06233 145.0
[M+Na]+ 252.04427 154.0
[M-H]- 228.04777 145.0
[M+NH4]+ 247.08887 162.8
[M+K]+ 268.01821 152.2
[M+H-H2O]+ 212.05231 137.1
[M+HCOO]- 274.05325 160.2
[M+CH3COO]- 288.06890 185.4
[M+Na-2H]- 250.02972 151.6
[M]+ 229.05450 142.3
[M]- 229.05560 142.3
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.