CID 4248015

1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene

Structural Information

Molecular Formula
C6H3ClF6O
SMILES
COC1=C(C(C(C1(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C6H3ClF6O/c1-14-3-2(7)4(8,9)6(12,13)5(3,10)11/h1H3
InChIKey
QLPINEFCFXPUSF-UHFFFAOYSA-N
Compound name
1-chloro-3,3,4,4,5,5-hexafluoro-2-methoxycyclopentene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

239.97766 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98494 125.0
[M+Na]+ 262.96688 139.9
[M-H]- 238.97038 122.9
[M+NH4]+ 258.01148 151.7
[M+K]+ 278.94082 135.6
[M+H-H2O]+ 222.97492 119.6
[M+HCOO]- 284.97586 139.4
[M+CH3COO]- 298.99151 189.5
[M+Na-2H]- 260.95233 129.8
[M]+ 239.97711 121.8
[M]- 239.97821 121.8
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