CID 10976675

485338-93-0

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

5
Patents

169.04364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.05092 137.9
[M+Na]+ 192.03286 148.3
[M+NH4]+ 187.07746 140.9
[M+K]+ 208.00680 139.4
[M-H]- 168.03636 127.6
[M+Na-2H]- 190.01831 139.9
[M]+ 169.04309 135.4
[M]- 169.04419 135.4
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