CID 24808871

1012868-70-0

Structural Information

Molecular Formula
C7H4BF4O
SMILES
[B-](C1=C(C=CC(=C1)C=O)F)(F)(F)F
InChI
InChI=1S/C7H4BF4O/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-4H/q-1
InChIKey
SEKRCCOFAZOQFJ-UHFFFAOYSA-N
Compound name
trifluoro-(2-fluoro-5-formylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

191.02913 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.03641 141.5
[M+Na]+ 214.01835 150.0
[M+NH4]+ 209.06295 146.0
[M+K]+ 229.99229 145.6
[M-H]- 190.02185 136.9
[M+Na-2H]- 212.00380 144.4
[M]+ 191.02858 140.8
[M]- 191.02968 140.8
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.