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
2
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 185.8
[M+Na]+ 545.08872 192.7
[M-H]- 521.09222 187.6
[M+NH4]+ 540.13332 194.0
[M+K]+ 561.06266 199.8
[M+H-H2O]+ 505.09676 178.2
[M+HCOO]- 567.09770 202.9
[M+CH3COO]- 581.11335 242.5
[M+Na-2H]- 543.07417 181.9
[M]+ 522.09895 186.6
[M]- 522.10005 186.6
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.