CID 18450851

837392-61-7

Structural Information

Molecular Formula
C15H17BF3NO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=C3)C(F)(F)F
InChI
InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)10-5-6-11-9(7-10)8-12(20-11)15(17,18)19/h5-8,20H,1-4H3
InChIKey
RKTJALSAZJUXFA-UHFFFAOYSA-N
Compound name
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

311.13043 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13771 163.5
[M+Na]+ 334.11965 175.8
[M-H]- 310.12315 167.6
[M+NH4]+ 329.16425 183.2
[M+K]+ 350.09359 172.9
[M+H-H2O]+ 294.12769 157.2
[M+HCOO]- 356.12863 178.4
[M+CH3COO]- 370.14428 201.6
[M+Na-2H]- 332.10510 167.7
[M]+ 311.12988 163.8
[M]- 311.13098 163.8
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