CID 9659

1-(1,1,2,2-tetrafluoroethoxy)butane

Structural Information

Molecular Formula
C6H10F4O
SMILES
CCCCOC(C(F)F)(F)F
InChI
InChI=1S/C6H10F4O/c1-2-3-4-11-6(9,10)5(7)8/h5H,2-4H2,1H3
InChIKey
CIVGBESMFDRXNF-UHFFFAOYSA-N
Compound name
1-(1,1,2,2-tetrafluoroethoxy)butane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

204
Patents

174.06677 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07405 132.0
[M+Na]+ 197.05599 139.5
[M-H]- 173.05949 127.1
[M+NH4]+ 192.10059 152.2
[M+K]+ 213.02993 139.0
[M+H-H2O]+ 157.06403 124.3
[M+HCOO]- 219.06497 149.2
[M+CH3COO]- 233.08062 181.7
[M+Na-2H]- 195.04144 136.1
[M]+ 174.06622 128.5
[M]- 174.06732 128.5
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