CID 19711031

2,2,3,3,4,4,4-heptafluoro-n-methylbutan-1-amine

Structural Information

Molecular Formula
C5H6F7N
SMILES
CNCC(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H6F7N/c1-13-2-3(6,7)4(8,9)5(10,11)12/h13H,2H2,1H3
InChIKey
XODUVTJXUOOAKV-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,4-heptafluoro-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

213.03885 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.04613 136.0
[M+Na]+ 236.02807 144.3
[M-H]- 212.03157 127.8
[M+NH4]+ 231.07267 154.0
[M+K]+ 252.00201 142.6
[M+H-H2O]+ 196.03611 126.4
[M+HCOO]- 258.03705 148.8
[M+CH3COO]- 272.05270 189.9
[M+Na-2H]- 234.01352 141.6
[M]+ 213.03830 124.9
[M]- 213.03940 124.9
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