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]+ 140.06148 121.6
[M+Na]+ 162.04342 129.8
[M-H]- 138.04692 116.5
[M+NH4]+ 157.08802 142.8
[M+K]+ 178.01736 129.0
[M+H-H2O]+ 122.05146 117.7
[M+HCOO]- 184.05240 141.0
[M+CH3COO]- 198.06805 170.5
[M+Na-2H]- 160.02887 127.4
[M]+ 139.05365 116.8
[M]- 139.05475 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