CID 56776451

1346521-42-3

Structural Information

Molecular Formula
C7H6F11N
SMILES
C(CN)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H6F11N/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h1-2,19H2
InChIKey
GJWIRTQEBLHUMP-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

313.03247 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.03975 157.0
[M+Na]+ 336.02169 165.5
[M-H]- 312.02519 144.1
[M+NH4]+ 331.06629 170.2
[M+K]+ 351.99563 162.4
[M+H-H2O]+ 296.02973 144.7
[M+HCOO]- 358.03067 161.3
[M+CH3COO]- 372.04632 208.3
[M+Na-2H]- 334.00714 160.2
[M]+ 313.03192 138.5
[M]- 313.03302 138.5
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