CID 45588149

910251-11-5

Structural Information

Molecular Formula
C2H5BF3O
SMILES
[B-](COC)(F)(F)F
InChI
InChI=1S/C2H5BF3O/c1-7-2-3(4,5)6/h2H2,1H3/q-1
InChIKey
NZVLBCWVAKPPPC-UHFFFAOYSA-N
Compound name
trifluoro(methoxymethyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

171
Patents

113.03855 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.04583 113.5
[M+Na]+ 136.02777 122.2
[M-H]- 112.03127 108.7
[M+NH4]+ 131.07237 135.7
[M+K]+ 152.00171 122.6
[M+H-H2O]+ 96.035810 109.9
[M+HCOO]- 158.03675 133.3
[M+CH3COO]- 172.05240 165.3
[M+Na-2H]- 134.01322 120.3
[M]+ 113.03800 108.6
[M]- 113.03910 108.6
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