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

257
Patents

110.06555 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.07283 118.0
[M+Na]+ 133.05477 125.3
[M-H]- 109.05827 115.1
[M+NH4]+ 128.09937 139.8
[M+K]+ 149.02871 124.5
[M+H-H2O]+ 93.062810 112.0
[M+HCOO]- 155.06375 139.8
[M+CH3COO]- 169.07940 172.1
[M+Na-2H]- 131.04022 124.3
[M]+ 110.06500 111.5
[M]- 110.06610 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