CID 2783341

1-decanamine, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-

Structural Information

Molecular Formula
C10H6F17N
SMILES
C(CN)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C10H6F17N/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2,28H2
InChIKey
PFINVJYJNJHTFY-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

176
Patents

463.0229 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.03018 159.8
[M+Na]+ 486.01212 166.7
[M-H]- 462.01562 166.1
[M+NH4]+ 481.05672 166.2
[M+K]+ 501.98606 173.3
[M+H-H2O]+ 446.02016 175.7
[M+HCOO]- 508.02110 178.7
[M+CH3COO]- 522.03675 234.8
[M+Na-2H]- 483.99757 192.9
[M]+ 463.02235 156.2
[M]- 463.02345 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe