CID 10976675

Potassium trifluoro(phenylethynyl)borate

Structural Information

Molecular Formula
C8H5BF3
SMILES
[B-](C#CC1=CC=CC=C1)(F)(F)F
InChI
InChI=1S/C8H5BF3/c10-9(11,12)7-6-8-4-2-1-3-5-8/h1-5H/q-1
InChIKey
UPMSMRKBTXPGPF-UHFFFAOYSA-N
Compound name
trifluoro(2-phenylethynyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

169.04364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05092 129.5
[M+Na]+ 192.03286 139.7
[M-H]- 168.03636 126.6
[M+NH4]+ 187.07746 147.1
[M+K]+ 208.00680 135.3
[M+H-H2O]+ 152.04090 118.4
[M+HCOO]- 214.04184 143.7
[M+CH3COO]- 228.05749 182.6
[M+Na-2H]- 190.01831 134.7
[M]+ 169.04309 117.6
[M]- 169.04419 117.6
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

patents stripe