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]+ 190.07713 131.8
[M+Na]+ 212.05907 140.3
[M-H]- 188.06257 130.1
[M+NH4]+ 207.10367 151.1
[M+K]+ 228.03301 138.2
[M+H-H2O]+ 172.06711 126.5
[M+HCOO]- 234.06805 151.4
[M+CH3COO]- 248.08370 179.7
[M+Na-2H]- 210.04452 137.5
[M]+ 189.06930 127.1
[M]- 189.07040 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.