CID 63701738

2248620-16-6

Structural Information

Molecular Formula
C8H6BF6
SMILES
[B-](CC1=CC=C(C=C1)C(F)(F)F)(F)(F)F
InChI
InChI=1S/C8H6BF6/c10-8(11,12)7-3-1-6(2-4-7)5-9(13,14)15/h1-4H,5H2/q-1
InChIKey
OTKKQUQNMBDWSG-UHFFFAOYSA-N
Compound name
trifluoro-[[4-(trifluoromethyl)phenyl]methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.04668 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05396 136.6
[M+Na]+ 250.03590 145.8
[M-H]- 226.03940 131.2
[M+NH4]+ 245.08050 154.2
[M+K]+ 266.00984 142.3
[M+H-H2O]+ 210.04394 129.1
[M+HCOO]- 272.04488 151.0
[M+CH3COO]- 286.06053 186.4
[M+Na-2H]- 248.02135 141.3
[M]+ 227.04613 126.0
[M]- 227.04723 126.0
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.