CID 2775868

4h-octafluoro-1-iodobutane

Structural Information

Molecular Formula
C4HF8I
SMILES
C(C(C(C(F)(F)I)(F)F)(F)F)(F)F
InChI
InChI=1S/C4HF8I/c5-1(6)2(7,8)3(9,10)4(11,12)13/h1H
InChIKey
YOCZVAMFHOCNFS-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoro-1-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

327.8995 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.90678 139.2
[M+Na]+ 350.88872 141.6
[M-H]- 326.89222 124.3
[M+NH4]+ 345.93332 152.4
[M+K]+ 366.86266 145.5
[M+H-H2O]+ 310.89676 126.3
[M+HCOO]- 372.89770 145.1
[M+CH3COO]- 386.91335 197.5
[M+Na-2H]- 348.87417 131.7
[M]+ 327.89895 125.3
[M]- 327.90005 125.3
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