CID 11990659

(s)-4-fluoromethyl-dihydro-furan-2-one

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1[C@@H](COC1=O)CF
InChI
InChI=1S/C5H7FO2/c6-2-4-1-5(7)8-3-4/h4H,1-3H2/t4-/m1/s1
InChIKey
SNOBQHSFTVYKRO-SCSAIBSYSA-N
Compound name
(4S)-4-(fluoromethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

118.04301 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 118.3
[M+Na]+ 141.032228 126.4
[M-H]- 117.035734 121.2
[M+NH4]+ 136.076833 141.3
[M+K]+ 157.006168 127.1
[M+H-H2O]+ 101.040270 113.1
[M+HCOO]- 163.041211 140.6
[M+CH3COO]- 177.056861 167.0
[M+Na-2H]- 139.017676 124.2
[M]+ 118.04246142 116.5
[M]- 118.04355858 116.5
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