CID 165821008

En300-39874842

Structural Information

Molecular Formula
C13H17BF3NO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)OC(F)(F)F)N
InChI
InChI=1S/C13H17BF3NO3/c1-11(2)12(3,4)21-14(20-11)8-5-9(18)7-10(6-8)19-13(15,16)17/h5-7H,18H2,1-4H3
InChIKey
LDYYENBNXTYAPB-UHFFFAOYSA-N
Compound name
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethoxy)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13265 161.2
[M+Na]+ 326.11459 171.2
[M-H]- 302.11809 165.9
[M+NH4]+ 321.15919 179.6
[M+K]+ 342.08853 170.9
[M+H-H2O]+ 286.12263 154.7
[M+HCOO]- 348.12357 178.0
[M+CH3COO]- 362.13922 204.6
[M+Na-2H]- 324.10004 165.8
[M]+ 303.12482 160.5
[M]- 303.12592 160.5
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.