CID 165940322

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

Structural Information

Molecular Formula
C11H13Br
SMILES
CC1=C2CCCC2=C(C=C1)CBr
InChI
InChI=1S/C11H13Br/c1-8-5-6-9(7-12)11-4-2-3-10(8)11/h5-6H,2-4,7H2,1H3
InChIKey
BZRUBHBMRKPVBV-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-7-methyl-2,3-dihydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.02735 146.2
[M+Na]+ 247.00929 158.3
[M-H]- 223.01279 153.5
[M+NH4]+ 242.05389 171.3
[M+K]+ 262.98323 147.0
[M+H-H2O]+ 207.01733 147.2
[M+HCOO]- 269.01827 166.9
[M+CH3COO]- 283.03392 187.7
[M+Na-2H]- 244.99474 152.2
[M]+ 224.01952 164.2
[M]- 224.02062 164.2
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.