CID 19902652

2,2-difluoropropane-1,3-diamine dihydrochloride

Structural Information

Molecular Formula
C3H8F2N2
SMILES
C(C(CN)(F)F)N
InChI
InChI=1S/C3H8F2N2/c4-3(5,1-6)2-7/h1-2,6-7H2
InChIKey
HFPPZQKUJWIBJI-UHFFFAOYSA-N
Compound name
2,2-difluoropropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
Patents

110.06555 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.072826 118.0
[M+Na]+ 133.054768 125.3
[M-H]- 109.058274 115.1
[M+NH4]+ 128.099373 139.8
[M+K]+ 149.028708 124.5
[M+H-H2O]+ 93.062810 112.0
[M+HCOO]- 155.063751 139.8
[M+CH3COO]- 169.079401 172.1
[M+Na-2H]- 131.040216 124.3
[M]+ 110.06500142 111.5
[M]- 110.06609858 111.5
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