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

9
Patents

204.05136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 142.0
[M+Na]+ 227.04058 153.6
[M-H]- 203.04408 148.7
[M+NH4]+ 222.08518 160.3
[M+K]+ 243.01452 142.4
[M+H-H2O]+ 187.04862 141.4
[M+HCOO]- 249.04956 162.9
[M+CH3COO]- 263.06521 188.4
[M+Na-2H]- 225.02603 149.1
[M]+ 204.05081 162.9
[M]- 204.05191 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