CID 75406207

2,4-difluoro-3-(trifluoromethyl)styrene

Structural Information

Molecular Formula
C9H5F5
SMILES
C=CC1=C(C(=C(C=C1)F)C(F)(F)F)F
InChI
InChI=1S/C9H5F5/c1-2-5-3-4-6(10)7(8(5)11)9(12,13)14/h2-4H,1H2
InChIKey
HCEKLZUWPVOJJQ-UHFFFAOYSA-N
Compound name
1-ethenyl-2,4-difluoro-3-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

208.03114 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03842 156.0
[M+Na]+ 231.02036 163.8
[M+NH4]+ 226.06496 160.0
[M+K]+ 246.99430 158.0
[M-H]- 207.02386 151.1
[M+Na-2H]- 229.00581 158.1
[M]+ 208.03059 155.4
[M]- 208.03169 155.4
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