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

194
Patents

109.04364 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.05092 113.5
[M+Na]+ 132.03286 122.3
[M-H]- 108.03636 108.7
[M+NH4]+ 127.07746 136.0
[M+K]+ 148.00680 121.4
[M+H-H2O]+ 92.040900 110.1
[M+HCOO]- 154.04184 133.0
[M+CH3COO]- 168.05749 164.8
[M+Na-2H]- 130.01831 119.8
[M]+ 109.04309 106.8
[M]- 109.04419 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