CID 17914188

376-98-7

Structural Information

Molecular Formula
C5H5F7O
SMILES
COCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H5F7O/c1-13-2-3(6,7)4(8,9)5(10,11)12/h2H2,1H3
InChIKey
ZUBVOEGCTVLBQN-UHFFFAOYSA-N
Compound name
1,1,1,2,2,3,3-heptafluoro-4-methoxybutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

214.02286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03014 135.2
[M+Na]+ 237.01208 144.4
[M-H]- 213.01558 127.2
[M+NH4]+ 232.05668 153.6
[M+K]+ 252.98602 143.3
[M+H-H2O]+ 197.02012 126.0
[M+HCOO]- 259.02106 147.3
[M+CH3COO]- 273.03671 187.2
[M+Na-2H]- 234.99753 140.8
[M]+ 214.02231 126.5
[M]- 214.02341 126.5
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