CID 611125

1,4-bis(chlorodifluoromethyl)benzene

Structural Information

Molecular Formula
C8H4Cl2F4
SMILES
C1=CC(=CC=C1C(F)(F)Cl)C(F)(F)Cl
InChI
InChI=1S/C8H4Cl2F4/c9-7(11,12)5-1-2-6(4-3-5)8(10,13)14/h1-4H
InChIKey
ZFNDPTMROCQNRJ-UHFFFAOYSA-N
Compound name
1,4-bis[chloro(difluoro)methyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

61
Patents

245.96262 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.969896 139.2
[M+Na]+ 268.951838 150.2
[M-H]- 244.955344 137.5
[M+NH4]+ 263.996443 158.0
[M+K]+ 284.925778 144.0
[M+H-H2O]+ 228.959880 132.5
[M+HCOO]- 290.960821 147.1
[M+CH3COO]- 304.976471 190.0
[M+Na-2H]- 266.937286 145.1
[M]+ 245.96207142 136.6
[M]- 245.96316858 136.6
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

patents stripe