CID 16217958

871231-40-2

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 133.5
[M+Na]+ 188.00494 141.5
[M+NH4]+ 183.04954 140.2
[M+K]+ 203.97888 137.0
[M-H]- 164.00844 130.3
[M+Na-2H]- 185.99039 135.9
[M]+ 165.01517 133.6
[M]- 165.01627 133.6
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.