CID 63701995

1569524-37-3

Structural Information

Molecular Formula
C8H9BF3O
SMILES
[B-](CC1=CC(=CC=C1)OC)(F)(F)F
InChI
InChI=1S/C8H9BF3O/c1-13-8-4-2-3-7(5-8)6-9(10,11)12/h2-5H,6H2,1H3/q-1
InChIKey
ZWWGZUGUSCCQGS-UHFFFAOYSA-N
Compound name
trifluoro-[(3-methoxyphenyl)methyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.077126 131.8
[M+Na]+ 212.059068 140.3
[M-H]- 188.062574 130.1
[M+NH4]+ 207.103673 151.1
[M+K]+ 228.033008 138.2
[M+H-H2O]+ 172.067110 126.5
[M+HCOO]- 234.068051 151.4
[M+CH3COO]- 248.083701 179.7
[M+Na-2H]- 210.044516 137.5
[M]+ 189.06930142 127.1
[M]- 189.07039858 127.1
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.