CID 67003522

1350378-37-8

Structural Information

Molecular Formula
C15H19BFNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=C(C=C3)F)C
InChI
InChI=1S/C15H19BFNO2/c1-14(2)15(3,4)20-16(19-14)12-9-18(5)13-7-6-10(17)8-11(12)13/h6-9H,1-5H3
InChIKey
LFJVNUOFKWTQCW-UHFFFAOYSA-N
Compound name
5-fluoro-1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

275.1493 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15658 155.6
[M+Na]+ 298.13852 168.7
[M-H]- 274.14202 163.8
[M+NH4]+ 293.18312 177.8
[M+K]+ 314.11246 166.9
[M+H-H2O]+ 258.14656 150.4
[M+HCOO]- 320.14750 175.7
[M+CH3COO]- 334.16315 170.3
[M+Na-2H]- 296.12397 159.6
[M]+ 275.14875 160.8
[M]- 275.14985 160.8
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