CID 23152508

863578-24-9

Structural Information

Molecular Formula
C12H17BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC(=C2)F)N
InChI
InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)9-7-8(14)5-6-10(9)15/h5-7H,15H2,1-4H3
InChIKey
RLUKWTHMONYTKG-UHFFFAOYSA-N
Compound name
4-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

237.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14092 147.9
[M+Na]+ 260.12286 158.0
[M-H]- 236.12636 155.3
[M+NH4]+ 255.16746 169.1
[M+K]+ 276.09680 157.5
[M+H-H2O]+ 220.13090 142.8
[M+HCOO]- 282.13184 168.5
[M+CH3COO]- 296.14749 194.1
[M+Na-2H]- 258.10831 152.8
[M]+ 237.13309 148.3
[M]- 237.13419 148.3
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

patents stripe