CID 71339063

Methyl 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohexanoate

Structural Information

Molecular Formula
C7H4ClF9O2
SMILES
COC(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
InChI
InChI=1S/C7H4ClF9O2/c1-19-3(18)2(8)4(9,10)5(11,12)6(13,14)7(15,16)17/h2H,1H3
InChIKey
ZDQKJWZLKLQXAO-UHFFFAOYSA-N
Compound name
methyl 2-chloro-3,3,4,4,5,5,6,6,6-nonafluorohexanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

325.97562 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.98290 150.8
[M+Na]+ 348.96484 160.4
[M-H]- 324.96834 140.8
[M+NH4]+ 344.00944 165.3
[M+K]+ 364.93878 157.1
[M+H-H2O]+ 308.97288 141.0
[M+HCOO]- 370.97382 153.3
[M+CH3COO]- 384.98947 204.9
[M+Na-2H]- 346.95029 153.5
[M]+ 325.97507 140.9
[M]- 325.97617 140.9
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

No patent data available for this compound.