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]+ 486.914346 180.9
[M+Na]+ 508.896288 191.6
[M-H]- 484.899794 167.4
[M+NH4]+ 503.940893 170.1
[M+K]+ 524.870228 185.8
[M+H-H2O]+ 468.904330 167.1
[M+HCOO]- 530.905271 182.4
[M+CH3COO]- 544.920921 232.1
[M+Na-2H]- 506.881736 184.8
[M]+ 485.90652142 160.6
[M]- 485.90761858 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