CID 55282136

3,3,3-trifluoropropane-1,2-diamine dihydrochloride

Structural Information

Molecular Formula
C3H7F3N2
SMILES
C(C(C(F)(F)F)N)N
InChI
InChI=1S/C3H7F3N2/c4-3(5,6)2(8)1-7/h2H,1,7-8H2
InChIKey
QXIHYHUYKPDZLT-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

165
Patents

128.05614 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06342 121.1
[M+Na]+ 151.04536 128.1
[M-H]- 127.04886 116.8
[M+NH4]+ 146.08996 142.0
[M+K]+ 167.01930 127.5
[M+H-H2O]+ 111.05340 114.1
[M+HCOO]- 173.05434 140.8
[M+CH3COO]- 187.06999 175.2
[M+Na-2H]- 149.03081 125.5
[M]+ 128.05559 112.4
[M]- 128.05669 112.4
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