CID 75486307

4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C13H16BF4NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2N)C(F)(F)F)F
InChI
InChI=1S/C13H16BF4NO2/c1-11(2)12(3,4)21-14(20-11)8-6-9(15)7(5-10(8)19)13(16,17)18/h5-6H,19H2,1-4H3
InChIKey
YEISGRZUGZBQJW-UHFFFAOYSA-N
Compound name
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12103 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12831 160.6
[M+Na]+ 328.11025 171.9
[M-H]- 304.11375 164.4
[M+NH4]+ 323.15485 179.3
[M+K]+ 344.08419 170.5
[M+H-H2O]+ 288.11829 153.7
[M+HCOO]- 350.11923 176.2
[M+CH3COO]- 364.13488 206.5
[M+Na-2H]- 326.09570 163.8
[M]+ 305.12048 157.7
[M]- 305.12158 157.7
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.