CID 54154500

1,3-dichloro-2,4-bis(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H2Cl2F6
SMILES
C1=CC(=C(C(=C1C(F)(F)F)Cl)C(F)(F)F)Cl
InChI
InChI=1S/C8H2Cl2F6/c9-4-2-1-3(7(11,12)13)6(10)5(4)8(14,15)16/h1-2H
InChIKey
DZWZXJXAOQPCMP-UHFFFAOYSA-N
Compound name
1,3-dichloro-2,4-bis(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

281.9438 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95108 165.5
[M+Na]+ 304.93302 172.0
[M+NH4]+ 299.97762 168.6
[M+K]+ 320.90696 167.2
[M-H]- 280.93652 159.5
[M+Na-2H]- 302.91847 166.8
[M]+ 281.94325 164.8
[M]- 281.94435 164.8
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