CID 49761722

1279123-60-2

Structural Information

Molecular Formula
C4H7BF3O
SMILES
[B-](COCC=C)(F)(F)F
InChI
InChI=1S/C4H7BF3O/c1-2-3-9-4-5(6,7)8/h2H,1,3-4H2/q-1
InChIKey
RTRZYCBUEGZNCW-UHFFFAOYSA-N
Compound name
trifluoro(prop-2-enoxymethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

139.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.061476 121.6
[M+Na]+ 162.043418 129.8
[M-H]- 138.046924 116.5
[M+NH4]+ 157.088023 142.8
[M+K]+ 178.017358 129.0
[M+H-H2O]+ 122.051460 117.7
[M+HCOO]- 184.052401 141.0
[M+CH3COO]- 198.068051 170.5
[M+Na-2H]- 160.028866 127.4
[M]+ 139.05365142 116.8
[M]- 139.05474858 116.8
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