CID 49761692

804565-39-7

Structural Information

Molecular Formula
C3H5BF3
SMILES
[B-](/C=C/C)(F)(F)F
InChI
InChI=1S/C3H5BF3/c1-2-3-4(5,6)7/h2-3H,1H3/q-1/b3-2+
InChIKey
WNOZHQXHJBBHEA-NSCUHMNNSA-N
Compound name
trifluoro-[(E)-prop-1-enyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

109.04364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.050916 113.5
[M+Na]+ 132.032858 122.3
[M-H]- 108.036364 108.7
[M+NH4]+ 127.077463 136.0
[M+K]+ 148.006798 121.4
[M+H-H2O]+ 92.040900 110.1
[M+HCOO]- 154.041841 133.0
[M+CH3COO]- 168.057491 164.8
[M+Na-2H]- 130.018306 119.8
[M]+ 109.04309142 106.8
[M]- 109.04418858 106.8
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