CID 22562016

1609345-92-7

Structural Information

Molecular Formula
C4H9F3N2
SMILES
C(C(CN)N)C(F)(F)F
InChI
InChI=1S/C4H9F3N2/c5-4(6,7)1-3(9)2-8/h3H,1-2,8-9H2
InChIKey
UKZKRKSQKMVRJD-UHFFFAOYSA-N
Compound name
4,4,4-trifluorobutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

142.07178 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07906 125.7
[M+Na]+ 165.06100 132.4
[M-H]- 141.06450 121.3
[M+NH4]+ 160.10560 146.1
[M+K]+ 181.03494 131.4
[M+H-H2O]+ 125.06904 118.6
[M+HCOO]- 187.06998 145.1
[M+CH3COO]- 201.08563 178.2
[M+Na-2H]- 163.04645 129.6
[M]+ 142.07123 117.5
[M]- 142.07233 117.5
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