CID 101774678

869583-61-9

Structural Information

Molecular Formula
C3BF6
SMILES
[B-](C#CC(F)(F)F)(F)(F)F
InChI
InChI=1S/C3BF6/c5-3(6,7)1-2-4(8,9)10/q-1
InChIKey
NDJVUWKMYQUKMM-UHFFFAOYSA-N
Compound name
trifluoro(3,3,3-trifluoroprop-1-ynyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.99973 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.00701 117.1
[M+Na]+ 183.98895 127.5
[M-H]- 159.99245 108.7
[M+NH4]+ 179.03355 134.8
[M+K]+ 199.96289 126.0
[M+H-H2O]+ 143.99699 105.5
[M+HCOO]- 205.99793 127.2
[M+CH3COO]- 220.01358 181.9
[M+Na-2H]- 181.97440 121.9
[M]+ 160.99918 101.6
[M]- 161.00028 101.6
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.