CID 2737791

Bis(4-chlorooctafluorobutyl)ether

Structural Information

Molecular Formula
C8Cl2F16O
SMILES
C(C(C(F)(F)Cl)(F)F)(C(OC(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8Cl2F16O/c9-5(19,20)1(11,12)3(15,16)7(23,24)27-8(25,26)4(17,18)2(13,14)6(10,21)22
InChIKey
YGAVLUGHTWKNCY-UHFFFAOYSA-N
Compound name
1-chloro-4-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutoxy)-1,1,2,2,3,3,4,4-octafluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

485.90707 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.91435 180.9
[M+Na]+ 508.89629 191.6
[M-H]- 484.89979 167.4
[M+NH4]+ 503.94089 170.1
[M+K]+ 524.87023 185.8
[M+H-H2O]+ 468.90433 167.1
[M+HCOO]- 530.90527 182.4
[M+CH3COO]- 544.92092 232.1
[M+Na-2H]- 506.88174 184.8
[M]+ 485.90652 160.6
[M]- 485.90762 160.6
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

patents stripe