CID 132327503

2126160-34-5

Structural Information

Molecular Formula
C5H9F5N2
SMILES
CNC(CN)C(C(F)(F)F)(F)F
InChI
InChI=1S/C5H9F5N2/c1-12-3(2-11)4(6,7)5(8,9)10/h3,12H,2,11H2,1H3
InChIKey
GJCREPPCZDWPBY-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluoro-2-N-methylbutane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.06859 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07587 134.5
[M+Na]+ 215.05781 141.3
[M-H]- 191.06131 128.0
[M+NH4]+ 210.10241 152.9
[M+K]+ 231.03175 140.0
[M+H-H2O]+ 175.06585 125.8
[M+HCOO]- 237.06679 150.5
[M+CH3COO]- 251.08244 188.2
[M+Na-2H]- 213.04326 138.5
[M]+ 192.06804 124.4
[M]- 192.06914 124.4
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

No patent data available for this compound.