CID 118207198

2-cyanoethyl 1-fluoroethyl carbonate

Structural Information

Molecular Formula
C6H8FNO3
SMILES
CC(OC(=O)OCCC#N)F
InChI
InChI=1S/C6H8FNO3/c1-5(7)11-6(9)10-4-2-3-8/h5H,2,4H2,1H3
InChIKey
MTYZOJDYYFGWPJ-UHFFFAOYSA-N
Compound name
2-cyanoethyl 1-fluoroethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.04883 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05611 127.1
[M+Na]+ 184.03805 136.0
[M-H]- 160.04155 126.8
[M+NH4]+ 179.08265 145.9
[M+K]+ 200.01199 136.8
[M+H-H2O]+ 144.04609 115.1
[M+HCOO]- 206.04703 145.8
[M+CH3COO]- 220.06268 189.2
[M+Na-2H]- 182.02350 131.5
[M]+ 161.04828 124.3
[M]- 161.04938 124.3
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