CID 119676

27607-42-7

Structural Information

Molecular Formula
C12H10F17NO
SMILES
C(CNCCO)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/C12H10F17NO/c13-5(14,1-2-30-3-4-31)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h30-31H,1-4H2
InChIKey
AFNLZEWJLHEBLO-UHFFFAOYSA-N
Compound name
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

507.0491 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.05638 169.8
[M+Na]+ 530.03832 175.2
[M-H]- 506.04182 176.0
[M+NH4]+ 525.08292 175.7
[M+K]+ 546.01226 182.8
[M+H-H2O]+ 490.04636 157.6
[M+HCOO]- 552.04730 187.1
[M+CH3COO]- 566.06295 239.7
[M+Na-2H]- 528.02377 167.7
[M]+ 507.04855 165.6
[M]- 507.04965 165.6
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