CID 2736630

423-31-4

Structural Information

Molecular Formula
C4HClF8
SMILES
C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F
InChI
InChI=1S/C4HClF8/c5-4(12,13)3(10,11)2(8,9)1(6)7/h1H
InChIKey
NNMVWNQEVYZFRC-UHFFFAOYSA-N
Compound name
1-chloro-1,1,2,2,3,3,4,4-octafluorobutane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

207
Patents

235.9639 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97118 131.8
[M+Na]+ 258.95312 142.0
[M-H]- 234.95662 122.8
[M+NH4]+ 253.99772 149.9
[M+K]+ 274.92706 138.4
[M+H-H2O]+ 218.96116 122.8
[M+HCOO]- 280.96210 137.8
[M+CH3COO]- 294.97775 190.5
[M+Na-2H]- 256.93857 136.0
[M]+ 235.96335 121.4
[M]- 235.96445 121.4
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