CID 11615175

898544-65-5

Structural Information

Molecular Formula
C4H5BF3O
SMILES
[B-](COCC#C)(F)(F)F
InChI
InChI=1S/C4H5BF3O/c1-2-3-9-4-5(6,7)8/h1H,3-4H2/q-1
InChIKey
IOVBHRLCKWXSCG-UHFFFAOYSA-N
Compound name
trifluoro(prop-2-ynoxymethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.03856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.04584 118.2
[M+Na]+ 160.02778 128.1
[M-H]- 136.03128 113.1
[M+NH4]+ 155.07238 137.1
[M+K]+ 176.00172 127.1
[M+H-H2O]+ 120.03582 108.3
[M+HCOO]- 182.03676 132.5
[M+CH3COO]- 196.05241 179.1
[M+Na-2H]- 158.01323 123.5
[M]+ 137.03801 108.7
[M]- 137.03911 108.7
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.