CID 2776416

2248-93-3

Structural Information

Molecular Formula
C11HClF20O
SMILES
C(C(C(C(C(C(C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11HClF20O/c12-1(33)3(15,16)5(19,20)7(23,24)9(27,28)11(31,32)10(29,30)8(25,26)6(21,22)4(17,18)2(13)14/h2H
InChIKey
LFSNWCISDMSHBB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluoroundecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

563.93964 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 564.94692 175.9
[M+Na]+ 586.92886 182.4
[M-H]- 562.93236 185.9
[M+NH4]+ 581.97346 188.5
[M+K]+ 602.90280 193.0
[M+H-H2O]+ 546.93690 166.3
[M+HCOO]- 608.93784 192.7
[M+CH3COO]- 622.95349 246.1
[M+Na-2H]- 584.91431 177.3
[M]+ 563.93909 176.0
[M]- 563.94019 176.0
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