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

2
Patents

204.05136 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.05864 136.5
[M+Na]+ 227.04058 142.3
[M-H]- 203.04408 142.4
[M+NH4]+ 222.08518 157.3
[M+K]+ 243.01452 136.3
[M+H-H2O]+ 187.04862 137.5
[M+HCOO]- 249.04956 153.7
[M+CH3COO]- 263.06521 185.1
[M+Na-2H]- 225.02603 142.4
[M]+ 204.05081 147.0
[M]- 204.05191 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