CID 88074195

213745-39-2

Structural Information

Molecular Formula
C12H9BF3O
SMILES
[B-](C1=CC=CC=C1OC2=CC=CC=C2)(F)(F)F
InChI
InChI=1S/C12H9BF3O/c14-13(15,16)11-8-4-5-9-12(11)17-10-6-2-1-3-7-10/h1-9H/q-1
InChIKey
KTUNQFHAUBVZLQ-UHFFFAOYSA-N
Compound name
trifluoro-(2-phenoxyphenyl)boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

237.06985 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07713 142.6
[M+Na]+ 260.05907 150.6
[M-H]- 236.06257 143.8
[M+NH4]+ 255.10367 159.4
[M+K]+ 276.03301 146.6
[M+H-H2O]+ 220.06711 135.5
[M+HCOO]- 282.06805 162.2
[M+CH3COO]- 296.08370 187.4
[M+Na-2H]- 258.04452 148.7
[M]+ 237.06930 136.8
[M]- 237.07040 136.8
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

patents stripe