CID 44717529

2-iodo-1,1,1,4,4,4-hexafluorobutane

Structural Information

Molecular Formula
C4H3F6I
SMILES
C(C(C(F)(F)F)I)C(F)(F)F
InChI
InChI=1S/C4H3F6I/c5-3(6,7)1-2(11)4(8,9)10/h2H,1H2
InChIKey
WJQPGXHOQNCFHC-UHFFFAOYSA-N
Compound name
1,1,1,4,4,4-hexafluoro-2-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

291.91837 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.92565 134.9
[M+Na]+ 314.90759 136.9
[M-H]- 290.91109 122.0
[M+NH4]+ 309.95219 149.8
[M+K]+ 330.88153 141.3
[M+H-H2O]+ 274.91563 123.2
[M+HCOO]- 336.91657 144.3
[M+CH3COO]- 350.93222 190.1
[M+Na-2H]- 312.89304 127.5
[M]+ 291.91782 124.1
[M]- 291.91892 124.1
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