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

0
Patents

173.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.08222 127.5
[M+Na]+ 196.06416 137.0
[M-H]- 172.06766 126.2
[M+NH4]+ 191.10876 147.8
[M+K]+ 212.03810 134.4
[M+H-H2O]+ 156.07220 122.7
[M+HCOO]- 218.07314 146.8
[M+CH3COO]- 232.08879 178.9
[M+Na-2H]- 194.04961 132.6
[M]+ 173.07439 121.8
[M]- 173.07549 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.