CID 9766

373-30-8

Structural Information

Molecular Formula
C6H12FI
SMILES
C(CCCI)CCF
InChI
InChI=1S/C6H12FI/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
NOXBILFYPISOMD-UHFFFAOYSA-N
Compound name
1-fluoro-6-iodohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

229.99678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.00406 134.9
[M+Na]+ 252.98600 134.9
[M-H]- 228.98950 127.0
[M+NH4]+ 248.03060 152.3
[M+K]+ 268.95994 139.8
[M+H-H2O]+ 212.99404 126.0
[M+HCOO]- 274.99498 152.3
[M+CH3COO]- 289.01063 182.1
[M+Na-2H]- 250.97145 128.7
[M]+ 229.99623 132.6
[M]- 229.99733 132.6
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