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]+ 188.097866 131.6
[M+Na]+ 210.079808 141.6
[M-H]- 186.083314 130.6
[M+NH4]+ 205.124413 151.7
[M+K]+ 226.053748 138.8
[M+H-H2O]+ 170.087850 126.9
[M+HCOO]- 232.088791 150.6
[M+CH3COO]- 246.104441 183.0
[M+Na-2H]- 208.065256 135.5
[M]+ 187.09004142 126.6
[M]- 187.09113858 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.