CID 2760685

1422-98-6

Structural Information

Molecular Formula
C6Cl4F8O
SMILES
C(=O)(C(C(C(C(C(F)(F)Cl)(F)Cl)(F)F)(F)Cl)(F)F)Cl
InChI
InChI=1S/C6Cl4F8O/c7-1(19)2(11,12)3(8,13)5(15,16)4(9,14)6(10,17)18
InChIKey
HNDCMJCNRXFMQR-UHFFFAOYSA-N
Compound name
3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

379.85754 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.86482 153.4
[M+Na]+ 402.84676 163.1
[M-H]- 378.85026 143.5
[M+NH4]+ 397.89136 166.0
[M+K]+ 418.82070 156.8
[M+H-H2O]+ 362.85480 146.4
[M+HCOO]- 424.85574 142.6
[M+CH3COO]- 438.87139 212.5
[M+Na-2H]- 400.83221 156.5
[M]+ 379.85699 144.8
[M]- 379.85809 144.8
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