CID 10406381

30556-86-6

Structural Information

Molecular Formula
C8H6F13N
SMILES
C(CN)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H6F13N/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2,22H2
InChIKey
LTTQRUMYWWXCQA-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

89
Patents

363.02927 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.03655 168.1
[M+Na]+ 386.01849 176.5
[M-H]- 362.02199 153.4
[M+NH4]+ 381.06309 179.0
[M+K]+ 401.99243 173.1
[M+H-H2O]+ 346.02653 154.5
[M+HCOO]- 408.02747 168.5
[M+CH3COO]- 422.04312 217.6
[M+Na-2H]- 384.00394 170.6
[M]+ 363.02872 146.3
[M]- 363.02982 146.3
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