CID 146050074

2416056-38-5

Structural Information

Molecular Formula
C5H7BF5O
SMILES
[B-]([C@@H]1[C@H](C1(F)F)COC)(F)(F)F
InChI
InChI=1S/C5H7BF5O/c1-12-2-3-4(5(3,7)8)6(9,10)11/h3-4H,2H2,1H3/q-1/t3-,4-/m1/s1
InChIKey
DXLKLDVEYONOME-QWWZWVQMSA-N
Compound name
[(1R,3S)-2,2-difluoro-3-(methoxymethyl)cyclopropyl]-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.05101 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.05829 123.7
[M+Na]+ 212.04023 135.0
[M-H]- 188.04373 121.2
[M+NH4]+ 207.08483 140.2
[M+K]+ 228.01417 133.2
[M+H-H2O]+ 172.04827 117.9
[M+HCOO]- 234.04921 140.4
[M+CH3COO]- 248.06486 183.8
[M+Na-2H]- 210.02568 128.7
[M]+ 189.05046 119.9
[M]- 189.05156 119.9
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

No patent data available for this compound.