CID 120272

1-ethoxy-1,1,2,2-tetrafluoroethane

Structural Information

Molecular Formula
C4H6F4O
SMILES
CCOC(C(F)F)(F)F
InChI
InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKey
HBRLMDFVVMYNFH-UHFFFAOYSA-N
Compound name
1-ethoxy-1,1,2,2-tetrafluoroethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1255
Patents

146.03548 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.04276 122.4
[M+Na]+ 169.02470 130.7
[M-H]- 145.02820 117.8
[M+NH4]+ 164.06930 143.7
[M+K]+ 184.99864 130.7
[M+H-H2O]+ 129.03274 115.1
[M+HCOO]- 191.03368 140.2
[M+CH3COO]- 205.04933 175.6
[M+Na-2H]- 167.01015 127.6
[M]+ 146.03493 118.1
[M]- 146.03603 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe