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

12
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 134.7
[M+Na]+ 231.02036 146.0
[M-H]- 207.02386 132.8
[M+NH4]+ 226.06496 154.2
[M+K]+ 246.99430 141.8
[M+H-H2O]+ 191.02840 125.8
[M+HCOO]- 253.02934 152.4
[M+CH3COO]- 267.04499 187.7
[M+Na-2H]- 229.00581 138.5
[M]+ 208.03059 128.3
[M]- 208.03169 128.3
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

patents stripe