CID 2756724

131803-37-7

Structural Information

Molecular Formula
C8H4Cl2F4
SMILES
C(C1=C(C(=C(C(=C1F)F)CCl)F)F)Cl
InChI
InChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKey
WEUAASLFNKTIIM-UHFFFAOYSA-N
Compound name
1,4-bis(chloromethyl)-2,3,5,6-tetrafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

245.96262 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.969896 136.2
[M+Na]+ 268.951838 149.9
[M-H]- 244.955344 135.1
[M+NH4]+ 263.996443 156.0
[M+K]+ 284.925778 143.2
[M+H-H2O]+ 228.959880 129.8
[M+HCOO]- 290.960821 147.2
[M+CH3COO]- 304.976471 193.7
[M+Na-2H]- 266.937286 138.3
[M]+ 245.96207142 136.1
[M]- 245.96316858 136.1
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