CID 8101

1-bromohexane

Structural Information

Molecular Formula
C6H13Br
SMILES
CCCCCCBr
InChI
InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey
MNDIARAMWBIKFW-UHFFFAOYSA-N
Compound name
1-bromohexane
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

20674
Patents

164.02007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.027346 129.7
[M+Na]+ 187.009288 140.6
[M-H]- 163.012794 132.8
[M+NH4]+ 182.053893 154.1
[M+K]+ 202.983228 130.7
[M+H-H2O]+ 147.017330 130.8
[M+HCOO]- 209.018271 151.0
[M+CH3COO]- 223.033921 178.4
[M+Na-2H]- 184.994736 138.0
[M]+ 164.01952142 149.3
[M]- 164.02061858 149.3
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