CID 2776015

1,1,1,2,2-pentafluoro-3-methoxypropane

Structural Information

Molecular Formula
C4H5F5O
SMILES
COCC(C(F)(F)F)(F)F
InChI
InChI=1S/C4H5F5O/c1-10-2-3(5,6)4(7,8)9/h2H2,1H3
InChIKey
ZYAMKYAPIQPWQR-UHFFFAOYSA-N
Compound name
1,1,1,2,2-pentafluoro-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2692
Patents

164.02606 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03334 125.0
[M+Na]+ 187.01528 134.2
[M-H]- 163.01878 119.4
[M+NH4]+ 182.05988 145.7
[M+K]+ 202.98922 133.7
[M+H-H2O]+ 147.02332 117.4
[M+HCOO]- 209.02426 141.2
[M+CH3COO]- 223.03991 177.6
[M+Na-2H]- 185.00073 131.6
[M]+ 164.02551 119.4
[M]- 164.02661 119.4
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