CID 9765

1-bromo-6-fluorohexane

Structural Information

Molecular Formula
C6H12BrF
SMILES
C(CCCBr)CCF
InChI
InChI=1S/C6H12BrF/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
CNCUKGDUDOASDV-UHFFFAOYSA-N
Compound name
1-bromo-6-fluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

182.01064 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.01792 133.4
[M+Na]+ 204.99986 144.2
[M-H]- 181.00336 135.1
[M+NH4]+ 200.04446 157.0
[M+K]+ 220.97380 133.8
[M+H-H2O]+ 165.00790 133.5
[M+HCOO]- 227.00884 153.6
[M+CH3COO]- 241.02449 180.9
[M+Na-2H]- 202.98531 140.9
[M]+ 182.01009 151.8
[M]- 182.01119 151.8
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