CID 11625

1-bromo-8-fluorooctane

Structural Information

Molecular Formula
C8H16BrF
SMILES
C(CCCCBr)CCCF
InChI
InChI=1S/C8H16BrF/c9-7-5-3-1-2-4-6-8-10/h1-8H2
InChIKey
RTFARVWMEFHIKS-UHFFFAOYSA-N
Compound name
1-bromo-8-fluorooctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

210.04195 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04923 142.7
[M+Na]+ 233.03117 152.7
[M-H]- 209.03467 144.0
[M+NH4]+ 228.07577 165.2
[M+K]+ 249.00511 141.8
[M+H-H2O]+ 193.03921 142.4
[M+HCOO]- 255.04015 162.3
[M+CH3COO]- 269.05580 186.6
[M+Na-2H]- 231.01662 149.0
[M]+ 210.04140 161.8
[M]- 210.04250 161.8
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