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

18
Patents

214.02286 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.030136 135.2
[M+Na]+ 237.012078 144.4
[M-H]- 213.015584 127.2
[M+NH4]+ 232.056683 153.6
[M+K]+ 252.986018 143.3
[M+H-H2O]+ 197.020120 126.0
[M+HCOO]- 259.021061 147.3
[M+CH3COO]- 273.036711 187.2
[M+Na-2H]- 234.997526 140.8
[M]+ 214.02231142 126.5
[M]- 214.02340858 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