CID 84762006

1-fluoro-3-isocyanopropane

Structural Information

Molecular Formula
C4H6FN
SMILES
[C-]#[N+]CCCF
InChI
InChI=1S/C4H6FN/c1-6-4-2-3-5/h2-4H2
InChIKey
XQZRJSVOIFFJMG-UHFFFAOYSA-N
Compound name
1-fluoro-3-isocyanopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

87.04842 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.055696 114.7
[M+Na]+ 110.037638 124.3
[M-H]- 86.041144 113.4
[M+NH4]+ 105.082243 135.5
[M+K]+ 126.011578 119.2
[M+H-H2O]+ 70.045680 108.3
[M+HCOO]- 132.046621 134.0
[M+CH3COO]- 146.062271 170.8
[M+Na-2H]- 108.023086 122.9
[M]+ 87.04787142 106.2
[M]- 87.04896858 106.2
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

No patent data available for this compound.