CID 74441

2,2-diaminohexafluoropropane

Structural Information

Molecular Formula
C3H4F6N2
SMILES
C(C(F)(F)F)(C(F)(F)F)(N)N
InChI
InChI=1S/C3H4F6N2/c4-2(5,6)1(10,11)3(7,8)9/h10-11H2
InChIKey
NAIPMAOGJXOHIF-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoropropane-2,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

51
Patents

182.02786 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.03514 127.7
[M+Na]+ 205.01708 136.0
[M-H]- 181.02058 120.1
[M+NH4]+ 200.06168 146.3
[M+K]+ 220.99102 134.5
[M+H-H2O]+ 165.02512 119.1
[M+HCOO]- 227.02606 142.0
[M+CH3COO]- 241.04171 183.6
[M+Na-2H]- 203.00253 133.2
[M]+ 182.02731 114.4
[M]- 182.02841 114.4
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