CID 15440

(2-bromoethyl)cyclohexane

Structural Information

Molecular Formula
C8H15Br
SMILES
C1CCC(CC1)CCBr
InChI
InChI=1S/C8H15Br/c9-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKey
JRQAAYVLPPGEHT-UHFFFAOYSA-N
Compound name
2-bromoethylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1505
Patents

190.0357 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 138.0
[M+Na]+ 213.024918 146.2
[M-H]- 189.028424 143.2
[M+NH4]+ 208.069523 160.9
[M+K]+ 228.998858 136.2
[M+H-H2O]+ 173.032960 138.6
[M+HCOO]- 235.033901 156.2
[M+CH3COO]- 249.049551 180.4
[M+Na-2H]- 211.010366 144.6
[M]+ 190.03515142 152.0
[M]- 190.03624858 152.0
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