CID 5046330

3,4-dibromohexane

Structural Information

Molecular Formula
C6H12Br2
SMILES
CCC(C(CC)Br)Br
InChI
InChI=1S/C6H12Br2/c1-3-5(7)6(8)4-2/h5-6H,3-4H2,1-2H3
InChIKey
VCQBYNRFLHNSKA-UHFFFAOYSA-N
Compound name
3,4-dibromohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

241.93057 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93785 139.5
[M+Na]+ 264.91979 133.6
[M+NH4]+ 259.96439 141.7
[M+K]+ 280.89373 140.4
[M-H]- 240.92329 139.2
[M+Na-2H]- 262.90524 139.9
[M]+ 241.93002 137.4
[M]- 241.93112 137.4
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