CID 2775189

1,1,1-trifluoro-4-iodobutane

Structural Information

Molecular Formula
C4H6F3I
SMILES
C(CC(F)(F)F)CI
InChI
InChI=1S/C4H6F3I/c5-4(6,7)2-1-3-8/h1-3H2
InChIKey
LNDGACQEAYKNOI-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1406
Patents

237.94662 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95390 129.4
[M+Na]+ 260.93584 130.8
[M-H]- 236.93934 119.6
[M+NH4]+ 255.98044 146.5
[M+K]+ 276.90978 135.7
[M+H-H2O]+ 220.94388 119.7
[M+HCOO]- 282.94482 144.1
[M+CH3COO]- 296.96047 181.3
[M+Na-2H]- 258.92129 123.8
[M]+ 237.94607 123.5
[M]- 237.94717 123.5
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