CID 84762008

1,1-difluoro-2-isocyanoethane

Structural Information

Molecular Formula
C3H3F2N
SMILES
[C-]#[N+]CC(F)F
InChI
InChI=1S/C3H3F2N/c1-6-2-3(4)5/h3H,2H2
InChIKey
ZSEJLELCCJQLBU-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-isocyanoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

91.02335 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 92.030626 111.6
[M+Na]+ 114.01257 121.3
[M-H]- 90.016074 109.2
[M+NH4]+ 109.05717 132.1
[M+K]+ 129.98651 116.5
[M+H-H2O]+ 74.020610 104.5
[M+HCOO]- 136.02155 129.5
[M+CH3COO]- 150.03720 171.1
[M+Na-2H]- 111.99802 118.7
[M]+ 91.022801 101.0
[M]- 91.023899 101.0
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.