CID 71342774

139263-35-7

Structural Information

Molecular Formula
C11H7Cl2F7
SMILES
C1=CC(=C(C=C1CCl)C(C(C(F)(F)F)(F)F)(F)F)CCl
InChI
InChI=1S/C11H7Cl2F7/c12-4-6-1-2-7(5-13)8(3-6)9(14,15)10(16,17)11(18,19)20/h1-3H,4-5H2
InChIKey
ALHFMQWTDZUPJX-UHFFFAOYSA-N
Compound name
1,4-bis(chloromethyl)-2-(1,1,2,2,3,3,3-heptafluoropropyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

341.9813 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.98858 160.2
[M+Na]+ 364.97052 171.4
[M-H]- 340.97402 154.9
[M+NH4]+ 360.01512 175.2
[M+K]+ 380.94446 163.8
[M+H-H2O]+ 324.97856 150.6
[M+HCOO]- 386.97950 162.6
[M+CH3COO]- 400.99515 208.2
[M+Na-2H]- 362.95597 163.0
[M]+ 341.98075 154.6
[M]- 341.98185 154.6
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.