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]+ 172.06658 126.7
[M+Na]+ 194.04852 135.6
[M-H]- 170.05202 125.1
[M+NH4]+ 189.09312 146.7
[M+K]+ 210.02246 132.4
[M+H-H2O]+ 154.05656 121.8
[M+HCOO]- 216.05750 146.3
[M+CH3COO]- 230.07315 176.8
[M+Na-2H]- 192.03397 132.5
[M]+ 171.05875 120.0
[M]- 171.05985 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.