CID 227403

(2-bromoethyl)cycloheptane

Structural Information

Molecular Formula
C9H17Br
SMILES
C1CCCC(CC1)CCBr
InChI
InChI=1S/C9H17Br/c10-8-7-9-5-3-1-2-4-6-9/h9H,1-8H2
InChIKey
YFWUUIKFHYDTGJ-UHFFFAOYSA-N
Compound name
2-bromoethylcycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

204.05136 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.058636 136.5
[M+Na]+ 227.040578 142.3
[M-H]- 203.044084 142.4
[M+NH4]+ 222.085183 157.3
[M+K]+ 243.014518 136.3
[M+H-H2O]+ 187.048620 137.5
[M+HCOO]- 249.049561 153.7
[M+CH3COO]- 263.065211 185.1
[M+Na-2H]- 225.026026 142.4
[M]+ 204.05081142 147.0
[M]- 204.05190858 147.0
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