CID 10864135

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride

Structural Information

Molecular Formula
C11H4ClF17O
SMILES
C(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)C(=O)Cl
InChI
InChI=1S/C11H4ClF17O/c12-3(30)1-2-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29/h1-2H2
InChIKey
QYLZAPXXSYDKKB-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

12
Patents

509.96793 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.97521 169.0
[M+Na]+ 532.95715 175.9
[M-H]- 508.96065 176.5
[M+NH4]+ 528.00175 179.7
[M+K]+ 548.93109 184.4
[M+H-H2O]+ 492.96519 159.8
[M+HCOO]- 554.96613 188.4
[M+CH3COO]- 568.98178 237.8
[M+Na-2H]- 530.94260 169.2
[M]+ 509.96738 170.1
[M]- 509.96848 170.1
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