CID 13416585

1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene

Structural Information

Molecular Formula
C10Cl3F11
SMILES
C1(=C(C(=C(C(=C1F)F)C(Cl)(Cl)Cl)F)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C10Cl3F11/c11-8(12,13)2-5(16)3(14)1(4(15)6(2)17)7(18,9(19,20)21)10(22,23)24
InChIKey
HVSWWIQGNBXLNG-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-(trichloromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

433.889 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.89628 168.9
[M+Na]+ 456.87822 183.2
[M-H]- 432.88172 159.9
[M+NH4]+ 451.92282 180.8
[M+K]+ 472.85216 174.5
[M+H-H2O]+ 416.88626 157.8
[M+HCOO]- 478.88720 161.8
[M+CH3COO]- 492.90285 223.4
[M+Na-2H]- 454.86367 168.5
[M]+ 433.88845 158.6
[M]- 433.88955 158.6
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

No patent data available for this compound.