CID 44755207

819057-45-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
Patents

237.13364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14092 151.0
[M+Na]+ 260.12286 162.3
[M+NH4]+ 255.16746 161.4
[M+K]+ 276.09680 155.5
[M-H]- 236.12636 156.0
[M+Na-2H]- 258.10831 158.2
[M]+ 237.13309 154.3
[M]- 237.13419 154.3
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