CID 122489

29819-80-5

Structural Information

Molecular Formula
C5H6F4O
SMILES
C=COCC(C(F)F)(F)F
InChI
InChI=1S/C5H6F4O/c1-2-10-3-5(8,9)4(6)7/h2,4H,1,3H2
InChIKey
ULEAHVRSLJRGPK-UHFFFAOYSA-N
Compound name
3-ethenoxy-1,1,2,2-tetrafluoropropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

158.03548 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04276 125.5
[M+Na]+ 181.02470 133.8
[M-H]- 157.02820 120.8
[M+NH4]+ 176.06930 146.2
[M+K]+ 196.99864 132.9
[M+H-H2O]+ 141.03274 118.1
[M+HCOO]- 203.03368 143.2
[M+CH3COO]- 217.04933 177.7
[M+Na-2H]- 179.01015 130.2
[M]+ 158.03493 120.9
[M]- 158.03603 120.9
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