CID 63703555

1707202-97-8

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]+ 174.082216 128.1
[M+Na]+ 196.064158 136.7
[M-H]- 172.067664 126.5
[M+NH4]+ 191.108763 148.1
[M+K]+ 212.038098 134.1
[M+H-H2O]+ 156.072200 123.1
[M+HCOO]- 218.073141 147.4
[M+CH3COO]- 232.088791 177.8
[M+Na-2H]- 194.049606 133.8
[M]+ 173.07439142 122.0
[M]- 173.07548858 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.