CID 70270

(2-bromoethylidene)cyclohexane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CCC(=CCBr)CC1
InChI
InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7H2
InChIKey
LUTZQLLTXUSAOF-UHFFFAOYSA-N
Compound name
2-bromoethylidenecyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

188.02007 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.027346 136.5
[M+Na]+ 211.009288 145.0
[M-H]- 187.012794 141.8
[M+NH4]+ 206.053893 159.5
[M+K]+ 226.983228 134.5
[M+H-H2O]+ 171.017330 137.3
[M+HCOO]- 233.018271 154.9
[M+CH3COO]- 247.033921 178.9
[M+Na-2H]- 208.994736 143.2
[M]+ 188.01952142 149.8
[M]- 188.02061858 149.8
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