CID 22392485

1,1-difluoro-2-isocyanatoethane

Structural Information

Molecular Formula
C3H3F2NO
SMILES
C(C(F)F)N=C=O
InChI
InChI=1S/C3H3F2NO/c4-3(5)1-6-2-7/h3H,1H2
InChIKey
HHMFJCVUFBFVNG-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-isocyanatoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

107.01827 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 108.02555 113.5
[M+Na]+ 130.00749 121.9
[M-H]- 106.01099 113.0
[M+NH4]+ 125.05209 136.7
[M+K]+ 145.98143 122.4
[M+H-H2O]+ 90.015530 107.2
[M+HCOO]- 152.01647 138.3
[M+CH3COO]- 166.03212 171.3
[M+Na-2H]- 127.99294 120.6
[M]+ 107.01772 111.6
[M]- 107.01882 111.6
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

patents stripe