CID 162342620

2300106-55-0

Structural Information

Molecular Formula
C14H18BF2NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)OC(CN3)(F)F
InChI
InChI=1S/C14H18BF2NO3/c1-12(2)13(3,4)21-15(20-12)9-5-6-11-10(7-9)18-8-14(16,17)19-11/h5-7,18H,8H2,1-4H3
InChIKey
OFOYLSIXWWCDRF-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.13477 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14205 161.1
[M+Na]+ 320.12399 171.5
[M-H]- 296.12749 166.0
[M+NH4]+ 315.16859 179.7
[M+K]+ 336.09793 171.1
[M+H-H2O]+ 280.13203 154.2
[M+HCOO]- 342.13297 172.9
[M+CH3COO]- 356.14862 173.0
[M+Na-2H]- 318.10944 166.7
[M]+ 297.13422 160.1
[M]- 297.13532 160.1
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.