CID 18805

2-bromohexane

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

1
References

674
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 130.6
[M+Na]+ 187.00929 141.2
[M-H]- 163.01279 133.7
[M+NH4]+ 182.05389 154.9
[M+K]+ 202.98323 131.6
[M+H-H2O]+ 147.01733 131.7
[M+HCOO]- 209.01827 150.9
[M+CH3COO]- 223.03392 179.1
[M+Na-2H]- 184.99474 137.5
[M]+ 164.01952 149.5
[M]- 164.02062 149.5
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