CID 15596454

114092-59-0

Structural Information

Molecular Formula
C9H6BrF3
SMILES
C1=CC(=CC(=C1)C(F)(F)F)/C=C/Br
InChI
InChI=1S/C9H6BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h1-6H/b5-4+
InChIKey
SORYLDUWQMEDRE-SNAWJCMRSA-N
Compound name
1-[(E)-2-bromoethenyl]-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.9605 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.96778 154.8
[M+Na]+ 272.94972 156.7
[M+NH4]+ 267.99432 158.0
[M+K]+ 288.92366 155.4
[M-H]- 248.95322 151.6
[M+Na-2H]- 270.93517 156.6
[M]+ 249.95995 153.0
[M]- 249.96105 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.