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

2
Patents

137.03856 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.045836 118.2
[M+Na]+ 160.027778 128.1
[M-H]- 136.031284 113.1
[M+NH4]+ 155.072383 137.1
[M+K]+ 176.001718 127.1
[M+H-H2O]+ 120.035820 108.3
[M+HCOO]- 182.036761 132.5
[M+CH3COO]- 196.052411 179.1
[M+Na-2H]- 158.013226 123.5
[M]+ 137.03801142 108.7
[M]- 137.03910858 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.