CID 18806

3-bromohexane

Structural Information

Molecular Formula
C6H13Br
SMILES
CCCC(CC)Br
InChI
InChI=1S/C6H13Br/c1-3-5-6(7)4-2/h6H,3-5H2,1-2H3
InChIKey
IOZOJWNUKLCDML-UHFFFAOYSA-N
Compound name
3-bromohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

337
Patents

164.02007 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.02735 129.1
[M+Na]+ 187.00929 131.1
[M+NH4]+ 182.05389 134.5
[M+K]+ 202.98323 131.0
[M-H]- 163.01279 128.3
[M+Na-2H]- 184.99474 130.9
[M]+ 164.01952 127.9
[M]- 164.02062 127.9
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