CID 129946672

[3-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula
C13H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CN)F
InChI
InChI=1S/C13H19BFNO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7H,8,16H2,1-4H3
InChIKey
KJHZSCQXDBUZIL-UHFFFAOYSA-N
Compound name
[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15657 152.5
[M+Na]+ 274.13851 162.2
[M-H]- 250.14201 159.7
[M+NH4]+ 269.18311 173.2
[M+K]+ 290.11245 161.5
[M+H-H2O]+ 234.14655 147.3
[M+HCOO]- 296.14749 172.8
[M+CH3COO]- 310.16314 197.1
[M+Na-2H]- 272.12396 156.9
[M]+ 251.14874 153.3
[M]- 251.14984 153.3
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.