CID 3019434

83877-83-2

Structural Information

Molecular Formula
C6H5ClF6O
SMILES
C=CCOC(C(C(F)(F)F)(F)Cl)(F)F
InChI
InChI=1S/C6H5ClF6O/c1-2-3-14-6(12,13)4(7,8)5(9,10)11/h2H,1,3H2
InChIKey
MQWHSNAKLKDGRD-UHFFFAOYSA-N
Compound name
2-chloro-1,1,1,2,3,3-hexafluoro-3-prop-2-enoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99332 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.000596 138.9
[M+Na]+ 264.982538 148.8
[M-H]- 240.986044 132.1
[M+NH4]+ 260.027143 157.2
[M+K]+ 280.956478 145.0
[M+H-H2O]+ 224.990580 131.3
[M+HCOO]- 286.991521 147.7
[M+CH3COO]- 301.007171 189.8
[M+Na-2H]- 262.967986 144.5
[M]+ 241.99277142 133.3
[M]- 241.99386858 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

No patent data available for this compound.