CID 14520624

12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecanoyl chloride

Structural Information

Molecular Formula
C17H20ClF13O
SMILES
C(CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCCC(=O)Cl
InChI
InChI=1S/C17H20ClF13O/c18-11(32)9-7-5-3-1-2-4-6-8-10-12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)31/h1-10H2
InChIKey
CLTPPAJDTWVGMU-UHFFFAOYSA-N
Compound name
12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadecanoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

522.0995 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.10678 191.2
[M+Na]+ 545.08872 190.8
[M+NH4]+ 540.13332 190.0
[M+K]+ 561.06266 188.9
[M-H]- 521.09222 186.5
[M+Na-2H]- 543.07417 188.5
[M]+ 522.09895 189.6
[M]- 522.10005 189.6
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

No patent data available for this compound.