CID 14375284

12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride

Structural Information

Molecular Formula
C15H20ClF9O
SMILES
C(CCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCC(=O)Cl
InChI
InChI=1S/C15H20ClF9O/c16-11(26)9-7-5-3-1-2-4-6-8-10-12(17,18)13(19,20)14(21,22)15(23,24)25/h1-10H2
InChIKey
HDQATQLPXACQSR-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,15-nonafluoropentadecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

422.1059 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11318 187.6
[M+Na]+ 445.09512 194.2
[M-H]- 421.09862 176.0
[M+NH4]+ 440.13972 181.0
[M+K]+ 461.06906 187.9
[M+H-H2O]+ 405.10316 176.0
[M+HCOO]- 467.10410 188.0
[M+CH3COO]- 481.11975 225.7
[M+Na-2H]- 443.08057 186.8
[M]+ 422.10535 179.9
[M]- 422.10645 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

patents stripe