CID 22413033

(6-bromohexyl)cyclopropane

Structural Information

Molecular Formula
C9H17Br
SMILES
C1CC1CCCCCCBr
InChI
InChI=1S/C9H17Br/c10-8-4-2-1-3-5-9-6-7-9/h9H,1-8H2
InChIKey
ZKQLRWWYLPHVKH-UHFFFAOYSA-N
Compound name
6-bromohexylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

204.05136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 142.0
[M+Na]+ 227.040578 153.6
[M-H]- 203.044084 148.7
[M+NH4]+ 222.085183 160.3
[M+K]+ 243.014518 142.4
[M+H-H2O]+ 187.048620 141.4
[M+HCOO]- 249.049561 162.9
[M+CH3COO]- 263.065211 188.4
[M+Na-2H]- 225.026026 149.1
[M]+ 204.05081142 162.9
[M]- 204.05190858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe