CID 3362145

561328-67-4

Structural Information

Molecular Formula
C8H9BF3
SMILES
[B-](C1=C(C=CC=C1C)C)(F)(F)F
InChI
InChI=1S/C8H9BF3/c1-6-4-3-5-7(2)8(6)9(10,11)12/h3-5H,1-2H3/q-1
InChIKey
KGODUBOUDWQCGI-UHFFFAOYSA-N
Compound name
(2,6-dimethylphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

173.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.082216 127.5
[M+Na]+ 196.064158 137.0
[M-H]- 172.067664 126.2
[M+NH4]+ 191.108763 147.8
[M+K]+ 212.038098 134.4
[M+H-H2O]+ 156.072200 122.7
[M+HCOO]- 218.073141 146.8
[M+CH3COO]- 232.088791 178.9
[M+Na-2H]- 194.049606 132.6
[M]+ 173.07439142 121.8
[M]- 173.07548858 121.8
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.