CID 17932129

2-(bromomethyl)-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H11Br
SMILES
C1C(CC2=CC=CC=C21)CBr
InChI
InChI=1S/C10H11Br/c11-7-8-5-9-3-1-2-4-10(9)6-8/h1-4,8H,5-7H2
InChIKey
STSXTMDDYSZTKX-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

210.00441 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.011686 142.0
[M+Na]+ 232.993628 153.7
[M-H]- 208.997134 149.1
[M+NH4]+ 228.038233 167.3
[M+K]+ 248.967568 142.7
[M+H-H2O]+ 193.001670 143.1
[M+HCOO]- 255.002611 163.1
[M+CH3COO]- 269.018261 157.7
[M+Na-2H]- 230.979076 149.3
[M]+ 210.00386142 159.4
[M]- 210.00495858 159.4
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