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 126.0
[M+Na]+ 200.03909 135.0
[M-H]- 176.04259 123.1
[M+NH4]+ 195.08369 145.7
[M+K]+ 216.01303 132.3
[M+H-H2O]+ 160.04713 120.2
[M+HCOO]- 222.04807 144.6
[M+CH3COO]- 236.06372 177.7
[M+Na-2H]- 198.02454 131.7
[M]+ 177.04932 118.3
[M]- 177.05042 118.3
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

patents stripe