CID 20029261

3-iodo-1,1,1-trifluorohexane

Structural Information

Molecular Formula
C6H10F3I
SMILES
CCCC(CC(F)(F)F)I
InChI
InChI=1S/C6H10F3I/c1-2-3-5(10)4-6(7,8)9/h5H,2-4H2,1H3
InChIKey
QFRQARUUKDNGBD-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-3-iodohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

265.97794 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.98522 138.9
[M+Na]+ 288.96716 139.3
[M-H]- 264.97066 128.9
[M+NH4]+ 284.01176 154.9
[M+K]+ 304.94110 144.1
[M+H-H2O]+ 248.97520 128.8
[M+HCOO]- 310.97614 152.0
[M+CH3COO]- 324.99179 187.7
[M+Na-2H]- 286.95261 131.1
[M]+ 265.97739 133.1
[M]- 265.97849 133.1
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