CID 75406212

377-52-6

Structural Information

Molecular Formula
C5H5F7O2
SMILES
COC(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H5F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h2,13H,1H3
InChIKey
CXOBIGBNBLZQJA-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-1-methoxybutan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

230.01778 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02506 137.6
[M+Na]+ 253.00700 146.2
[M-H]- 229.01050 128.2
[M+NH4]+ 248.05160 154.6
[M+K]+ 268.98094 145.0
[M+H-H2O]+ 213.01504 128.6
[M+HCOO]- 275.01598 147.6
[M+CH3COO]- 289.03163 187.2
[M+Na-2H]- 250.99245 141.8
[M]+ 230.01723 127.8
[M]- 230.01833 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.