CID 58840930

5-bromo-1-methylene-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H9Br
SMILES
C=C1CCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H9Br/c1-7-2-3-8-6-9(11)4-5-10(7)8/h4-6H,1-3H2
InChIKey
ZQLUWPKLJNDZSI-UHFFFAOYSA-N
Compound name
6-bromo-3-methylidene-1,2-dihydroindene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

207.98875 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.99603 139.9
[M+Na]+ 230.97797 152.7
[M-H]- 206.98147 147.4
[M+NH4]+ 226.02257 165.5
[M+K]+ 246.95191 141.1
[M+H-H2O]+ 190.98601 141.2
[M+HCOO]- 252.98695 161.1
[M+CH3COO]- 267.00260 156.0
[M+Na-2H]- 228.96342 146.6
[M]+ 207.98820 156.9
[M]- 207.98930 156.9
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