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

753
Patents

164.02606 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.033336 125.0
[M+Na]+ 187.015278 134.2
[M-H]- 163.018784 119.4
[M+NH4]+ 182.059883 145.7
[M+K]+ 202.989218 133.7
[M+H-H2O]+ 147.023320 117.4
[M+HCOO]- 209.024261 141.2
[M+CH3COO]- 223.039911 177.6
[M+Na-2H]- 185.000726 131.6
[M]+ 164.02551142 119.4
[M]- 164.02660858 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