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

0
Patents

165.01572 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.02300 123.7
[M+Na]+ 188.00494 133.6
[M-H]- 164.00844 122.7
[M+NH4]+ 183.04954 146.4
[M+K]+ 203.97888 131.3
[M+H-H2O]+ 148.01298 119.2
[M+HCOO]- 210.01392 139.4
[M+CH3COO]- 224.02957 172.7
[M+Na-2H]- 185.99039 125.2
[M]+ 165.01517 119.3
[M]- 165.01627 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.