CID 10489405

244301-57-3

Structural Information

Molecular Formula
C9H11BF3
SMILES
[B-](C1=C(C=C(C=C1C)C)C)(F)(F)F
InChI
InChI=1S/C9H11BF3/c1-6-4-7(2)9(8(3)5-6)10(11,12)13/h4-5H,1-3H3/q-1
InChIKey
HTSNNNVJQDKLGV-UHFFFAOYSA-N
Compound name
trifluoro-(2,4,6-trimethylphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09059 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09787 131.6
[M+Na]+ 210.07981 141.6
[M-H]- 186.08331 130.6
[M+NH4]+ 205.12441 151.7
[M+K]+ 226.05375 138.8
[M+H-H2O]+ 170.08785 126.9
[M+HCOO]- 232.08879 150.6
[M+CH3COO]- 246.10444 183.0
[M+Na-2H]- 208.06526 135.5
[M]+ 187.09004 126.6
[M]- 187.09114 126.6
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.