CID 71306523

1644635-87-9

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 147.3
[M+Na]+ 255.06489 154.8
[M+NH4]+ 250.10949 151.8
[M+K]+ 271.03883 151.9
[M-H]- 231.06839 143.8
[M+Na-2H]- 253.05034 150.3
[M]+ 232.07512 146.7
[M]- 232.07622 146.7
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.