CID 49761717

1394048-67-9

Structural Information

Molecular Formula
C4H9BF3O
SMILES
[B-](COC(C)C)(F)(F)F
InChI
InChI=1S/C4H9BF3O/c1-4(2)9-3-5(6,7)8/h4H,3H2,1-2H3/q-1
InChIKey
RHVGEAMCAAMYSG-UHFFFAOYSA-N
Compound name
trifluoro(propan-2-yloxymethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

141.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.077126 122.8
[M+Na]+ 164.059068 130.5
[M-H]- 140.062574 117.8
[M+NH4]+ 159.103673 144.0
[M+K]+ 180.033008 130.8
[M+H-H2O]+ 124.067110 118.9
[M+HCOO]- 186.068051 141.0
[M+CH3COO]- 200.083701 172.2
[M+Na-2H]- 162.044516 127.3
[M]+ 141.06930142 118.0
[M]- 141.07039858 118.0
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