CID 165991138

Potassium trifluoro(thian-4-yl)boranuide

Structural Information

Molecular Formula
C5H9BF3S
SMILES
[B-](C1CCSCC1)(F)(F)F
InChI
InChI=1S/C5H9BF3S/c7-6(8,9)5-1-3-10-4-2-5/h5H,1-4H2/q-1
InChIKey
BXKWLKMWCXYZTH-UHFFFAOYSA-N
Compound name
trifluoro(thian-4-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.04701 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05429 126.9
[M+Na]+ 192.03623 132.6
[M-H]- 168.03973 124.3
[M+NH4]+ 187.08083 146.9
[M+K]+ 208.01017 130.6
[M+H-H2O]+ 152.04427 121.7
[M+HCOO]- 214.04521 137.6
[M+CH3COO]- 228.06086 172.6
[M+Na-2H]- 190.02168 128.3
[M]+ 169.04646 117.1
[M]- 169.04756 117.1
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.