CID 10449

1-fluoro-2-isocyanatoethane

Structural Information

Molecular Formula
C3H4FNO
SMILES
C(CF)N=C=O
InChI
InChI=1S/C3H4FNO/c4-1-2-5-3-6/h1-2H2
InChIKey
JNAJXLFIFYAWRN-UHFFFAOYSA-N
Compound name
1-fluoro-2-isocyanatoethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

42
Patents

89.027695 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 90.034971 110.5
[M+Na]+ 112.01691 119.1
[M-H]- 88.020419 111.3
[M+NH4]+ 107.06152 134.6
[M+K]+ 127.99085 119.6
[M+H-H2O]+ 72.024955 105.2
[M+HCOO]- 134.02590 137.4
[M+CH3COO]- 148.04155 167.7
[M+Na-2H]- 110.00236 119.5
[M]+ 89.027146 110.5
[M]- 89.028244 110.5
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