CID 13082384

6,7-dichloroperfluoro-5-oxaheptanoic acid

Structural Information

Molecular Formula
C6HCl2F9O3
SMILES
C(=O)(C(C(C(OC(C(F)(F)Cl)(F)Cl)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C6HCl2F9O3/c7-4(13,14)5(8,15)20-6(16,17)3(11,12)2(9,10)1(18)19/h(H,18,19)
InChIKey
LXQALNRZYKVNKJ-UHFFFAOYSA-N
Compound name
4-(1,2-dichloro-1,2,2-trifluoroethoxy)-2,2,3,3,4,4-hexafluorobutanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

361.9159 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.92318 150.8
[M+Na]+ 384.90512 160.9
[M-H]- 360.90862 139.9
[M+NH4]+ 379.94972 163.6
[M+K]+ 400.87906 156.1
[M+H-H2O]+ 344.91316 142.4
[M+HCOO]- 406.91410 147.5
[M+CH3COO]- 420.92975 206.8
[M+Na-2H]- 382.89057 155.9
[M]+ 361.91535 141.6
[M]- 361.91645 141.6
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.