CID 84026380

6-bromo-4-methyl-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H11Br
SMILES
CC1=CC(=CC2=C1CCC2)Br
InChI
InChI=1S/C10H11Br/c1-7-5-9(11)6-8-3-2-4-10(7)8/h5-6H,2-4H2,1H3
InChIKey
DLPWCQIMHZUKER-UHFFFAOYSA-N
Compound name
6-bromo-4-methyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.00441 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 141.4
[M+Na]+ 232.993628 153.9
[M-H]- 208.997134 148.9
[M+NH4]+ 228.038233 167.0
[M+K]+ 248.967568 142.9
[M+H-H2O]+ 193.001670 142.7
[M+HCOO]- 255.002611 162.5
[M+CH3COO]- 269.018261 157.4
[M+Na-2H]- 230.979076 148.0
[M]+ 210.00386142 159.1
[M]- 210.00495858 159.1
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