CID 13930108

2-(fluoromethyl)furan

Structural Information

Molecular Formula
C5H5FO
SMILES
C1=COC(=C1)CF
InChI
InChI=1S/C5H5FO/c6-4-5-2-1-3-7-5/h1-3H,4H2
InChIKey
PWDLMCXYIKGCFU-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

100.03244 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.039716 112.7
[M+Na]+ 123.021658 121.8
[M-H]- 99.025164 116.0
[M+NH4]+ 118.066263 136.4
[M+K]+ 138.995598 122.3
[M+H-H2O]+ 83.029700 107.4
[M+HCOO]- 145.030641 137.5
[M+CH3COO]- 159.046291 164.1
[M+Na-2H]- 121.007106 121.3
[M]+ 100.03189142 112.7
[M]- 100.03298858 112.7
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