CID 165984380

En300-7546736

Structural Information

Molecular Formula
C5H7BF3O
SMILES
[B-](C1[C@H]2[C@@H]1COC2)(F)(F)F
InChI
InChI=1S/C5H7BF3O/c7-6(8,9)5-3-1-10-2-4(3)5/h3-5H,1-2H2/q-1/t3-,4+,5?
InChIKey
HINBYCKNGJDFEP-NGQZWQHPSA-N
Compound name
trifluoro-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.0542 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.06148 119.5
[M+Na]+ 174.04342 129.9
[M-H]- 150.04692 120.3
[M+NH4]+ 169.08802 136.9
[M+K]+ 190.01736 128.5
[M+H-H2O]+ 134.05146 114.8
[M+HCOO]- 196.05240 136.6
[M+CH3COO]- 210.06805 175.2
[M+Na-2H]- 172.02887 126.0
[M]+ 151.05365 116.2
[M]- 151.05475 116.2
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.