CID 16217958

Potassium 5-methyl-2-thiophenetrifluoroborate

Structural Information

Molecular Formula
C5H5BF3S
SMILES
[B-](C1=CC=C(S1)C)(F)(F)F
InChI
InChI=1S/C5H5BF3S/c1-4-2-3-5(10-4)6(7,8)9/h2-3H,1H3/q-1
InChIKey
KMPHKROWCRUFIU-UHFFFAOYSA-N
Compound name
trifluoro-(5-methylthiophen-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

165.01572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.022996 123.7
[M+Na]+ 188.004938 133.6
[M-H]- 164.008444 122.7
[M+NH4]+ 183.049543 146.4
[M+K]+ 203.978878 131.3
[M+H-H2O]+ 148.012980 119.2
[M+HCOO]- 210.013921 139.4
[M+CH3COO]- 224.029571 172.7
[M+Na-2H]- 185.990386 125.2
[M]+ 165.01517142 119.3
[M]- 165.01626858 119.3
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.