CID 162396465

Dtxsid001032501

Structural Information

Molecular Formula
C12H12F15N
SMILES
C(CCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCN
InChI
InChI=1S/C12H12F15N/c13-6(14,4-2-1-3-5-28)7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)27/h1-5,28H2
InChIKey
BRYAEZYBDVYGFK-UHFFFAOYSA-N
Compound name
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluorododecan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

455.07303 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.08031 192.7
[M+Na]+ 478.06225 172.1
[M-H]- 454.06575 168.8
[M+NH4]+ 473.10685 170.1
[M+K]+ 494.03619 195.7
[M+H-H2O]+ 438.07029 177.4
[M+HCOO]- 500.07123 183.1
[M+CH3COO]- 514.08688 234.3
[M+Na-2H]- 476.04770 193.4
[M]+ 455.07248 161.2
[M]- 455.07358 161.2
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

No patent data available for this compound.