CID 124367

1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane

Structural Information

Molecular Formula
C5H6F6O2
SMILES
COC(C(C(F)(F)F)OCF)(F)F
InChI
InChI=1S/C5H6F6O2/c1-12-5(10,11)3(13-2-6)4(7,8)9/h3H,2H2,1H3
InChIKey
GIRCVFXPLMQPGW-UHFFFAOYSA-N
Compound name
1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

212.02719 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.03447 135.3
[M+Na]+ 235.01641 143.8
[M-H]- 211.01991 128.2
[M+NH4]+ 230.06101 153.8
[M+K]+ 250.99035 143.5
[M+H-H2O]+ 195.02445 126.3
[M+HCOO]- 257.02539 149.4
[M+CH3COO]- 271.04104 186.2
[M+Na-2H]- 233.00186 139.6
[M]+ 212.02664 129.5
[M]- 212.02774 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.