CID 67729

355-24-8

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
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 136.0
[M+Na]+ 292.91415 147.0
[M-H]- 268.91765 127.0
[M+NH4]+ 287.95875 153.2
[M+K]+ 308.88809 141.8
[M+H-H2O]+ 252.92219 127.9
[M+HCOO]- 314.92313 136.8
[M+CH3COO]- 328.93878 194.9
[M+Na-2H]- 290.89960 141.7
[M]+ 269.92438 126.8
[M]- 269.92548 126.8
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