CID 573873

3-iodo-1,1,1-trifluorobutane

Structural Information

Molecular Formula
C4H6F3I
SMILES
CC(CC(F)(F)F)I
InChI
InChI=1S/C4H6F3I/c1-3(8)2-4(5,6)7/h3H,2H2,1H3
InChIKey
SYXQWKHNRKDCIF-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

237.94662 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.95390 128.8
[M+Na]+ 260.93584 130.1
[M-H]- 236.93934 119.2
[M+NH4]+ 255.98044 146.0
[M+K]+ 276.90978 135.4
[M+H-H2O]+ 220.94388 119.2
[M+HCOO]- 282.94482 142.6
[M+CH3COO]- 296.96047 182.0
[M+Na-2H]- 258.92129 122.2
[M]+ 237.94607 122.4
[M]- 237.94717 122.4
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