CID 71310869

1134643-88-1

Structural Information

Molecular Formula
C4H7BF3
SMILES
[B-](/C(=C/C)/C)(F)(F)F
InChI
InChI=1S/C4H7BF3/c1-3-4(2)5(6,7)8/h3H,1-2H3/q-1/b4-3+
InChIKey
DAUAHSLBTCXOSB-ONEGZZNKSA-N
Compound name
[(Z)-but-2-en-2-yl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

127
Patents

123.05929 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.066566 117.9
[M+Na]+ 146.048508 126.1
[M-H]- 122.052014 113.1
[M+NH4]+ 141.093113 139.8
[M+K]+ 162.022448 125.4
[M+H-H2O]+ 106.056550 114.4
[M+HCOO]- 168.057491 136.1
[M+CH3COO]- 182.073141 168.6
[M+Na-2H]- 144.033956 122.5
[M]+ 123.05874142 110.9
[M]- 123.05983858 110.9
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