CID 132398968

1642565-63-6

Structural Information

Molecular Formula
C14H17BClNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2Cl)NC(=C3)O
InChI
InChI=1S/C14H17BClNO3/c1-13(2)14(3,4)20-15(19-13)9-5-8-6-12(18)17-11(8)7-10(9)16/h5-7,17-18H,1-4H3
InChIKey
IPJZYBDHZLGGIA-UHFFFAOYSA-N
Compound name
6-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.099 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10628 160.7
[M+Na]+ 316.08822 173.7
[M-H]- 292.09172 167.5
[M+NH4]+ 311.13282 181.4
[M+K]+ 332.06216 169.7
[M+H-H2O]+ 276.09626 157.4
[M+HCOO]- 338.09720 174.6
[M+CH3COO]- 352.11285 174.3
[M+Na-2H]- 314.07367 164.5
[M]+ 293.09845 166.3
[M]- 293.09955 166.3
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

No patent data available for this compound.