CID 95314

1,2-dibromocyclohexane

Structural Information

Molecular Formula
C6H10Br2
SMILES
C1CCC(C(C1)Br)Br
InChI
InChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2
InChIKey
CZNHKZKWKJNOTE-UHFFFAOYSA-N
Compound name
1,2-dibromocyclohexane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

465
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 133.4
[M+Na]+ 262.90415 142.8
[M-H]- 238.90765 139.7
[M+NH4]+ 257.94875 154.4
[M+K]+ 278.87809 128.3
[M+H-H2O]+ 222.91219 142.3
[M+HCOO]- 284.91313 147.5
[M+CH3COO]- 298.92878 194.9
[M+Na-2H]- 260.88960 140.3
[M]+ 239.91438 163.4
[M]- 239.91548 163.4
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