CID 99779833

Potassium benzothiophene-3-trifluoroborate

Structural Information

Molecular Formula
C8H5BF3S
SMILES
[B-](C1=CSC2=CC=CC=C12)(F)(F)F
InChI
InChI=1S/C8H5BF3S/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8/h1-5H/q-1
InChIKey
ZEBTWFKRNQHEPN-UHFFFAOYSA-N
Compound name
1-benzothiophen-3-yl(trifluoro)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.01572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.02300 130.3
[M+Na]+ 224.00494 141.5
[M-H]- 200.00844 130.4
[M+NH4]+ 219.04954 152.7
[M+K]+ 239.97888 137.4
[M+H-H2O]+ 184.01298 125.6
[M+HCOO]- 246.01392 146.7
[M+CH3COO]- 260.02957 178.8
[M+Na-2H]- 221.99039 134.5
[M]+ 201.01517 127.6
[M]- 201.01627 127.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.