CID 43141442

5-bromo-6,7,8,9-tetrahydro-5h-benzo[7]annulene

Structural Information

Molecular Formula
C11H13Br
SMILES
C1CCC2=CC=CC=C2C(C1)Br
InChI
InChI=1S/C11H13Br/c12-11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2
InChIKey
IJZYOXSLTXQZMK-UHFFFAOYSA-N
Compound name
5-bromo-6,7,8,9-tetrahydro-5H-benzo[7]annulene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

224.02007 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 139.6
[M+Na]+ 247.00929 148.0
[M-H]- 223.01279 147.1
[M+NH4]+ 242.05389 161.1
[M+K]+ 262.98323 141.0
[M+H-H2O]+ 207.01733 141.5
[M+HCOO]- 269.01827 157.7
[M+CH3COO]- 283.03392 153.7
[M+Na-2H]- 244.99474 147.6
[M]+ 224.01952 151.5
[M]- 224.02062 151.5
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