CID 86731003

1418128-33-2

Structural Information

Molecular Formula
C13H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2C)N)F
InChI
InChI=1S/C13H19BFNO2/c1-8-10(6-9(15)7-11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,16H2,1-5H3
InChIKey
BHHFDPDYGAZFIE-UHFFFAOYSA-N
Compound name
5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

251.14929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15657 151.5
[M+Na]+ 274.13851 162.2
[M-H]- 250.14201 159.2
[M+NH4]+ 269.18311 172.5
[M+K]+ 290.11245 161.5
[M+H-H2O]+ 234.14655 146.7
[M+HCOO]- 296.14749 171.9
[M+CH3COO]- 310.16314 198.4
[M+Na-2H]- 272.12396 155.4
[M]+ 251.14874 152.7
[M]- 251.14984 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe