CID 21564352

1,1-difluoro-2-isothiocyanatoethane

Structural Information

Molecular Formula
C3H3F2NS
SMILES
C(C(F)F)N=C=S
InChI
InChI=1S/C3H3F2NS/c4-3(5)1-6-2-7/h3H,1H2
InChIKey
QSYFXGFOOGXXBK-UHFFFAOYSA-N
Compound name
1,1-difluoro-2-isothiocyanatoethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

122.99543 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.00271 122.6
[M+Na]+ 145.98465 130.9
[M+NH4]+ 141.02925 130.0
[M+K]+ 161.95859 123.8
[M-H]- 121.98815 120.5
[M+Na-2H]- 143.97010 125.5
[M]+ 122.99488 123.2
[M]- 122.99598 123.2
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

patents stripe