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

5
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 116.5
[M+Na]+ 145.98465 124.8
[M-H]- 121.98815 116.1
[M+NH4]+ 141.02925 139.5
[M+K]+ 161.95859 123.7
[M+H-H2O]+ 105.99269 109.8
[M+HCOO]- 167.99363 135.3
[M+CH3COO]- 182.00928 173.3
[M+Na-2H]- 143.97010 119.9
[M]+ 122.99488 115.2
[M]- 122.99598 115.2
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