CID 12368

1,6-dibromohexane

Structural Information

Molecular Formula
C6H12Br2
SMILES
C(CCCBr)CCBr
InChI
InChI=1S/C6H12Br2/c7-5-3-1-2-4-6-8/h1-6H2
InChIKey
SGRHVVLXEBNBDV-UHFFFAOYSA-N
Compound name
1,6-dibromohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

12316
Patents

241.93057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93785 133.5
[M+Na]+ 264.91979 143.9
[M-H]- 240.92329 137.5
[M+NH4]+ 259.96439 154.6
[M+K]+ 280.89373 128.5
[M+H-H2O]+ 224.92783 141.8
[M+HCOO]- 286.92877 149.6
[M+CH3COO]- 300.94442 197.1
[M+Na-2H]- 262.90524 141.4
[M]+ 241.93002 168.0
[M]- 241.93112 168.0
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