CID 54241257

2-(bromomethyl)-1-methoxy-4-(propan-2-yl)benzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC(C)C1=CC(=C(C=C1)OC)CBr
InChI
InChI=1S/C11H15BrO/c1-8(2)9-4-5-11(13-3)10(6-9)7-12/h4-6,8H,7H2,1-3H3
InChIKey
QQDZACQBEVRYAD-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1-methoxy-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.03062 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 146.7
[M+Na]+ 265.01984 158.0
[M-H]- 241.02334 153.1
[M+NH4]+ 260.06444 168.4
[M+K]+ 280.99378 147.5
[M+H-H2O]+ 225.02788 146.9
[M+HCOO]- 287.02882 167.3
[M+CH3COO]- 301.04447 192.4
[M+Na-2H]- 263.00529 152.2
[M]+ 242.03007 167.3
[M]- 242.03117 167.3
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