CID 63702502

1494466-28-2

Structural Information

Molecular Formula
C7H6BF4
SMILES
[B-](CC1=CC=C(C=C1)F)(F)(F)F
InChI
InChI=1S/C7H6BF4/c9-7-3-1-6(2-4-7)5-8(10,11)12/h1-4H,5H2/q-1
InChIKey
FBBXYGBIRNBUGE-UHFFFAOYSA-N
Compound name
trifluoro-[(4-fluorophenyl)methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04987 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.05715 138.3
[M+Na]+ 200.03909 147.0
[M+NH4]+ 195.08369 143.6
[M+K]+ 216.01303 142.2
[M-H]- 176.04259 134.4
[M+Na-2H]- 198.02454 142.1
[M]+ 177.04932 138.0
[M]- 177.05042 138.0
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.