CID 102451

1,2-dibromohexane

Structural Information

Molecular Formula
C6H12Br2
SMILES
CCCCC(CBr)Br
InChI
InChI=1S/C6H12Br2/c1-2-3-4-6(8)5-7/h6H,2-5H2,1H3
InChIKey
NUUUANNAZVEWHM-UHFFFAOYSA-N
Compound name
1,2-dibromohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

297
Patents

241.93057 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.93785 135.1
[M+Na]+ 264.91979 145.3
[M-H]- 240.92329 139.1
[M+NH4]+ 259.96439 156.1
[M+K]+ 280.89373 130.1
[M+H-H2O]+ 224.92783 143.3
[M+HCOO]- 286.92877 150.3
[M+CH3COO]- 300.94442 197.7
[M+Na-2H]- 262.90524 141.8
[M]+ 241.93002 169.0
[M]- 241.93112 169.0
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