CID 37040

1,4-dibromocyclohexane

Structural Information

Molecular Formula
C6H10Br2
SMILES
C1CC(CCC1Br)Br
InChI
InChI=1S/C6H10Br2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2
InChIKey
OALGWDQLKYPDRK-UHFFFAOYSA-N
Compound name
1,4-dibromocyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

239.91493 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92221 139.2
[M+Na]+ 262.90415 133.8
[M+NH4]+ 257.94875 142.1
[M+K]+ 278.87809 139.9
[M-H]- 238.90765 140.3
[M+Na-2H]- 260.88960 140.6
[M]+ 239.91438 137.6
[M]- 239.91548 137.6
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

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