CID 11608174

705254-32-6

Structural Information

Molecular Formula
C8H7BF3
SMILES
[B-](C1=CC=C(C=C1)C=C)(F)(F)F
InChI
InChI=1S/C8H7BF3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h2-6H,1H2/q-1
InChIKey
YHSQZEQKPQMOII-UHFFFAOYSA-N
Compound name
(4-ethenylphenyl)-trifluoroboranuide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

171.0593 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.066576 126.7
[M+Na]+ 194.048518 135.6
[M-H]- 170.052024 125.1
[M+NH4]+ 189.093123 146.7
[M+K]+ 210.022458 132.4
[M+H-H2O]+ 154.056560 121.8
[M+HCOO]- 216.057501 146.3
[M+CH3COO]- 230.073151 176.8
[M+Na-2H]- 192.033966 132.5
[M]+ 171.05875142 120.0
[M]- 171.05984858 120.0
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.