CID 11971315

94159-85-0

Structural Information

Molecular Formula
C13H10F17NO
SMILES
C1CN1CC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C13H10F17NO/c14-6(15,3-5(32)4-31-1-2-31)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h5,32H,1-4H2
InChIKey
SONGXJCUEWDGMO-UHFFFAOYSA-N
Compound name
1-(aziridin-1-yl)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

519.0491 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.05638 180.2
[M+Na]+ 542.03832 183.9
[M-H]- 518.04182 181.2
[M+NH4]+ 537.08292 184.9
[M+K]+ 558.01226 182.4
[M+H-H2O]+ 502.04636 163.3
[M+HCOO]- 564.04730 195.2
[M+CH3COO]- 578.06295 240.0
[M+Na-2H]- 540.02377 182.6
[M]+ 519.04855 179.9
[M]- 519.04965 179.9
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.