CID 22283570

1,2-dichloro(perfluoro-1-[(2-methoxyethoxy)methoxy]ethane)

Structural Information

Molecular Formula
C6Cl2F12O3
SMILES
C(C(OC(F)(F)F)(F)F)(OC(OC(C(F)(F)Cl)(F)Cl)(F)F)(F)F
InChI
InChI=1S/C6Cl2F12O3/c7-1(9,10)2(8,11)21-6(19,20)23-4(14,15)3(12,13)22-5(16,17)18
InChIKey
VHHPRADYROJREN-UHFFFAOYSA-N
Compound name
1-[(1,2-dichloro-1,2,2-trifluoroethoxy)-difluoromethoxy]-1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

417.9033 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.91058 163.0
[M+Na]+ 440.89252 173.9
[M-H]- 416.89602 150.6
[M+NH4]+ 435.93712 174.1
[M+K]+ 456.86646 169.5
[M+H-H2O]+ 400.90056 151.8
[M+HCOO]- 462.90150 157.7
[M+CH3COO]- 476.91715 217.9
[M+Na-2H]- 438.87797 168.8
[M]+ 417.90275 151.8
[M]- 417.90385 151.8
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