CID 25212870

907604-62-0

Structural Information

Molecular Formula
C5H3BF3O2
SMILES
[B-](C1=CC=C(O1)C=O)(F)(F)F
InChI
InChI=1S/C5H3BF3O2/c7-6(8,9)5-2-1-4(3-10)11-5/h1-3H/q-1
InChIKey
XUZFIHQKZSLLFA-UHFFFAOYSA-N
Compound name
trifluoro-(5-formylfuran-2-yl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.01782 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.02510 121.8
[M+Na]+ 186.00704 131.7
[M-H]- 162.01054 121.2
[M+NH4]+ 181.05164 142.5
[M+K]+ 201.98098 131.3
[M+H-H2O]+ 146.01508 117.6
[M+HCOO]- 208.01602 142.5
[M+CH3COO]- 222.03167 171.6
[M+Na-2H]- 183.99249 128.2
[M]+ 163.01727 118.0
[M]- 163.01837 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

No patent data available for this compound.