CID 71306523

Potassium trifluoro({4-[methoxy(methyl)carbamoyl]phenyl})boranuide

Structural Information

Molecular Formula
C9H10BF3NO2
SMILES
[B-](C1=CC=C(C=C1)C(=O)N(C)OC)(F)(F)F
InChI
InChI=1S/C9H10BF3NO2/c1-14(16-2)9(15)7-3-5-8(6-4-7)10(11,12)13/h3-6H,1-2H3/q-1
InChIKey
HPYRNKXTZJDOIH-UHFFFAOYSA-N
Compound name
trifluoro-[4-[methoxy(methyl)carbamoyl]phenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07567 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08295 142.1
[M+Na]+ 255.06489 149.5
[M-H]- 231.06839 141.7
[M+NH4]+ 250.10949 159.8
[M+K]+ 271.03883 148.7
[M+H-H2O]+ 215.07293 135.9
[M+HCOO]- 277.07387 162.2
[M+CH3COO]- 291.08952 192.0
[M+Na-2H]- 253.05034 145.7
[M]+ 232.07512 138.2
[M]- 232.07622 138.2
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.