CID 165478021

4-(bromomethyl)-7-chloro-2,3-dihydro-1h-indene

Structural Information

Molecular Formula
C10H10BrCl
SMILES
C1CC2=C(C=CC(=C2C1)Cl)CBr
InChI
InChI=1S/C10H10BrCl/c11-6-7-4-5-10(12)9-3-1-2-8(7)9/h4-5H,1-3,6H2
InChIKey
MMWYATRDMXMMFW-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-7-chloro-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.96544 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97272 148.1
[M+Na]+ 266.95466 161.6
[M-H]- 242.95816 155.3
[M+NH4]+ 261.99926 173.2
[M+K]+ 282.92860 148.5
[M+H-H2O]+ 226.96270 149.8
[M+HCOO]- 288.96364 164.7
[M+CH3COO]- 302.97929 163.7
[M+Na-2H]- 264.94011 154.2
[M]+ 243.96489 167.5
[M]- 243.96599 167.5
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

No patent data available for this compound.