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

6
Patents

141.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.07713 122.8
[M+Na]+ 164.05907 130.5
[M-H]- 140.06257 117.8
[M+NH4]+ 159.10367 144.0
[M+K]+ 180.03301 130.8
[M+H-H2O]+ 124.06711 118.9
[M+HCOO]- 186.06805 141.0
[M+CH3COO]- 200.08370 172.2
[M+Na-2H]- 162.04452 127.3
[M]+ 141.06930 118.0
[M]- 141.07040 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