CID 11160413

219718-86-2

Structural Information

Molecular Formula
C9H9BF3
SMILES
[B-](/C=C/C1=CC=C(C=C1)C)(F)(F)F
InChI
InChI=1S/C9H9BF3/c1-8-2-4-9(5-3-8)6-7-10(11,12)13/h2-7H,1H3/q-1/b7-6+
InChIKey
QOKWSYCLMHJPFW-VOTSOKGWSA-N
Compound name
trifluoro-[(E)-2-(4-methylphenyl)ethenyl]boranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.07494 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08222 131.8
[M+Na]+ 208.06416 140.3
[M-H]- 184.06766 130.0
[M+NH4]+ 203.10876 151.3
[M+K]+ 224.03810 136.8
[M+H-H2O]+ 168.07220 126.6
[M+HCOO]- 230.07314 151.0
[M+CH3COO]- 244.08879 179.2
[M+Na-2H]- 206.04961 136.9
[M]+ 185.07439 125.3
[M]- 185.07549 125.3
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.