CID 78982

2,3-dichlorooctafluorobutane

Structural Information

Molecular Formula
C4Cl2F8
SMILES
C(C(C(F)(F)F)(F)Cl)(C(F)(F)F)(F)Cl
InChI
InChI=1S/C4Cl2F8/c5-1(7,3(9,10)11)2(6,8)4(12,13)14
InChIKey
LXANZHXWGZWFAC-UHFFFAOYSA-N
Compound name
2,3-dichloro-1,1,1,2,3,4,4,4-octafluorobutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

344
Patents

269.92493 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.93221 136.3
[M+Na]+ 292.91415 147.4
[M-H]- 268.91765 127.4
[M+NH4]+ 287.95875 153.7
[M+K]+ 308.88809 142.3
[M+H-H2O]+ 252.92219 128.2
[M+HCOO]- 314.92313 137.1
[M+CH3COO]- 328.93878 193.6
[M+Na-2H]- 290.89960 142.0
[M]+ 269.92438 126.9
[M]- 269.92548 126.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe