CID 68883804

1181825-45-5

Structural Information

Molecular Formula
C14H17BClNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C(=CN3)Cl
InChI
InChI=1S/C14H17BClNO2/c1-13(2)14(3,4)19-15(18-13)10-7-5-6-9-11(16)8-17-12(9)10/h5-8,17H,1-4H3
InChIKey
KXEPMPAGDSJYRJ-UHFFFAOYSA-N
Compound name
3-chloro-7-(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

11
Patents

277.1041 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11138 157.9
[M+Na]+ 300.09332 170.6
[M-H]- 276.09682 165.6
[M+NH4]+ 295.13792 179.7
[M+K]+ 316.06726 166.9
[M+H-H2O]+ 260.10136 153.9
[M+HCOO]- 322.10230 173.2
[M+CH3COO]- 336.11795 171.9
[M+Na-2H]- 298.07877 162.3
[M]+ 277.10355 163.4
[M]- 277.10465 163.4
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