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

11
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 143.1
[M+Na]+ 304.93302 156.0
[M-H]- 280.93652 139.6
[M+NH4]+ 299.97762 160.9
[M+K]+ 320.90696 149.2
[M+H-H2O]+ 264.94106 135.0
[M+HCOO]- 326.94200 149.0
[M+CH3COO]- 340.95765 196.6
[M+Na-2H]- 302.91847 146.6
[M]+ 281.94325 138.6
[M]- 281.94435 138.6
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

patents stripe