CID 2782510

3,5-dichloro-2,4,6-trifluorobenzotrifluoride

Structural Information

Molecular Formula
C7Cl2F6
SMILES
C1(=C(C(=C(C(=C1F)Cl)F)Cl)F)C(F)(F)F
InChI
InChI=1S/C7Cl2F6/c8-2-4(10)1(7(13,14)15)5(11)3(9)6(2)12
InChIKey
GMAAQKFDAJMAFP-UHFFFAOYSA-N
Compound name
1,3-dichloro-2,4,6-trifluoro-5-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

267.92813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.93541 136.7
[M+Na]+ 290.91735 151.4
[M-H]- 266.92085 133.6
[M+NH4]+ 285.96195 155.5
[M+K]+ 306.89129 144.5
[M+H-H2O]+ 250.92539 129.1
[M+HCOO]- 312.92633 144.5
[M+CH3COO]- 326.94198 196.2
[M+Na-2H]- 288.90280 138.9
[M]+ 267.92758 133.3
[M]- 267.92868 133.3
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