CID 79954768

1,1,1,7,7,7-hexafluoroheptan-4-amine

Structural Information

Molecular Formula
C7H11F6N
SMILES
C(CC(F)(F)F)C(CCC(F)(F)F)N
InChI
InChI=1S/C7H11F6N/c8-6(9,10)3-1-5(14)2-4-7(11,12)13/h5H,1-4,14H2
InChIKey
CMKLGIWQGMKWBL-UHFFFAOYSA-N
Compound name
1,1,1,7,7,7-hexafluoroheptan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.07957 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08685 143.3
[M+Na]+ 246.06879 150.2
[M-H]- 222.07229 135.2
[M+NH4]+ 241.11339 160.8
[M+K]+ 262.04273 148.1
[M+H-H2O]+ 206.07683 133.8
[M+HCOO]- 268.07777 156.5
[M+CH3COO]- 282.09342 191.7
[M+Na-2H]- 244.05424 145.4
[M]+ 223.07902 133.3
[M]- 223.08012 133.3
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