CID 100972

Einecs 261-635-9

Structural Information

Molecular Formula
C6H6F6O
SMILES
C=CCOC(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C6H6F6O/c1-2-3-13-6(11,12)4(7)5(8,9)10/h2,4H,1,3H2
InChIKey
ADXLBHULARLUSE-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3-hexafluoro-3-prop-2-enoxypropane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

130
Patents

208.03229 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03957 135.4
[M+Na]+ 231.02151 143.8
[M-H]- 207.02501 128.2
[M+NH4]+ 226.06611 154.0
[M+K]+ 246.99545 142.2
[M+H-H2O]+ 191.02955 126.5
[M+HCOO]- 253.03049 149.1
[M+CH3COO]- 267.04614 186.3
[M+Na-2H]- 229.00696 139.1
[M]+ 208.03174 127.8
[M]- 208.03284 127.8
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

patents stripe