CID 6368

1,1-difluoroethane

Structural Information

Molecular Formula
C2H4F2
SMILES
CC(F)F
InChI
InChI=1S/C2H4F2/c1-2(3)4/h2H,1H3
InChIKey
NPNPZTNLOVBDOC-UHFFFAOYSA-N
Compound name
1,1-difluoroethane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

49
References

84671
Patents

66.02811 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 67.035386 104.7
[M+Na]+ 89.017328 113.4
[M-H]- 65.020834 103.1
[M+NH4]+ 84.061933 129.4
[M+K]+ 104.99127 114.1
[M+H-H2O]+ 49.025370 99.6
[M+HCOO]- 111.02631 126.7
[M+CH3COO]- 125.04196 161.6
[M+Na-2H]- 87.002776 111.8
[M]+ 66.027561 101.4
[M]- 66.028659 101.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe