CID 53217210

912331-84-1

Structural Information

Molecular Formula
C14H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C14H17BClNO2/c1-13(2)14(3,4)19-15(18-13)12-7-9-5-6-10(16)8-11(9)17-12/h5-8,17H,1-4H3
InChIKey
WYCUFMHCRJWJRE-UHFFFAOYSA-N
Compound name
6-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

277.1041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11138 155.8
[M+Na]+ 300.09332 170.2
[M+NH4]+ 295.13792 167.5
[M+K]+ 316.06726 163.7
[M-H]- 276.09682 161.5
[M+Na-2H]- 298.07877 163.5
[M]+ 277.10355 160.2
[M]- 277.10465 160.2
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