CID 2776253

423-95-0

Structural Information

Molecular Formula
C9HClF16O
SMILES
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
InChI
InChI=1S/C9HClF16O/c10-1(27)3(13,14)5(17,18)7(21,22)9(25,26)8(23,24)6(19,20)4(15,16)2(11)12/h2H
InChIKey
RJYUFWDUKZUCSP-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl chloride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

19
Patents

463.94604 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.95332 177.8
[M+Na]+ 486.93526 169.2
[M-H]- 462.93876 168.7
[M+NH4]+ 481.97986 172.2
[M+K]+ 502.90920 182.9
[M+H-H2O]+ 446.94330 163.7
[M+HCOO]- 508.94424 178.9
[M+CH3COO]- 522.95989 231.0
[M+Na-2H]- 484.92071 178.9
[M]+ 463.94549 161.9
[M]- 463.94659 161.9
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

patents stripe