CID 2775823

261503-81-5

Structural Information

Molecular Formula
C5ClF9O3
SMILES
C(=O)(C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C5ClF9O3/c6-1(16)2(7,8)17-3(9,10)4(11,12)18-5(13,14)15
InChIKey
BKZHJOQMNQCFAE-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]acetyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

313.93924 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.94652 145.5
[M+Na]+ 336.92846 155.9
[M-H]- 312.93196 135.6
[M+NH4]+ 331.97306 160.3
[M+K]+ 352.90240 153.1
[M+H-H2O]+ 296.93650 135.7
[M+HCOO]- 358.93744 149.6
[M+CH3COO]- 372.95309 200.9
[M+Na-2H]- 334.91391 150.4
[M]+ 313.93869 136.9
[M]- 313.93979 136.9
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