CID 63703555

Potassium trifluoro[(3-methylphenyl)methyl]boranuide

Structural Information

Molecular Formula
C8H9BF3
SMILES
[B-](CC1=CC=CC(=C1)C)(F)(F)F
InChI
InChI=1S/C8H9BF3/c1-7-3-2-4-8(5-7)6-9(10,11)12/h2-5H,6H2,1H3/q-1
InChIKey
DYUSZZSFVXKGTM-UHFFFAOYSA-N
Compound name
trifluoro-[(3-methylphenyl)methyl]boranuide
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 128.1
[M+Na]+ 196.06416 136.7
[M-H]- 172.06766 126.5
[M+NH4]+ 191.10876 148.1
[M+K]+ 212.03810 134.1
[M+H-H2O]+ 156.07220 123.1
[M+HCOO]- 218.07314 147.4
[M+CH3COO]- 232.08879 177.8
[M+Na-2H]- 194.04961 133.8
[M]+ 173.07439 122.0
[M]- 173.07549 122.0
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.