CID 74476

1759-60-0

Structural Information

Molecular Formula
C6H3F7O
SMILES
COC1=C(C(C(C1(F)F)(F)F)(F)F)F
InChI
InChI=1S/C6H3F7O/c1-14-3-2(7)4(8,9)6(12,13)5(3,10)11/h1H3
InChIKey
HCVGDVYOISIYKY-UHFFFAOYSA-N
Compound name
1,3,3,4,4,5,5-heptafluoro-2-methoxycyclopentene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

224.00722 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.01450 125.1
[M+Na]+ 246.99644 139.4
[M-H]- 222.99994 122.0
[M+NH4]+ 242.04104 151.4
[M+K]+ 262.97038 136.8
[M+H-H2O]+ 207.00448 118.0
[M+HCOO]- 269.00542 142.7
[M+CH3COO]- 283.02107 188.8
[M+Na-2H]- 244.98189 129.5
[M]+ 224.00667 118.7
[M]- 224.00777 118.7
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