CID 10031

1-chloro-9-fluorononane

Structural Information

Molecular Formula
C9H18ClF
SMILES
C(CCCCF)CCCCCl
InChI
InChI=1S/C9H18ClF/c10-8-6-4-2-1-3-5-7-9-11/h1-9H2
InChIKey
IZWJXXYDFODIDQ-UHFFFAOYSA-N
Compound name
1-chloro-9-fluorononane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.10811 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.11539 140.2
[M+Na]+ 203.09733 147.0
[M-H]- 179.10083 138.3
[M+NH4]+ 198.14193 161.3
[M+K]+ 219.07127 143.4
[M+H-H2O]+ 163.10537 135.3
[M+HCOO]- 225.10631 157.4
[M+CH3COO]- 239.12196 183.2
[M+Na-2H]- 201.08278 144.8
[M]+ 180.10756 143.2
[M]- 180.10866 143.2
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

No patent data available for this compound.