CID 11557666

1-bromo-4-methoxy-2,3,5-trimethylbenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC1=CC(=C(C(=C1OC)C)C)Br
InChI
InChI=1S/C10H13BrO/c1-6-5-9(11)7(2)8(3)10(6)12-4/h5H,1-4H3
InChIKey
DVMARCGMLVDXLV-UHFFFAOYSA-N
Compound name
1-bromo-4-methoxy-2,3,5-trimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

228.01498 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 139.4
[M+Na]+ 251.004198 153.1
[M-H]- 227.007704 146.8
[M+NH4]+ 246.048803 162.4
[M+K]+ 266.978138 142.6
[M+H-H2O]+ 211.012240 140.2
[M+HCOO]- 273.013181 161.3
[M+CH3COO]- 287.028831 191.0
[M+Na-2H]- 248.989646 145.6
[M]+ 228.01443142 161.0
[M]- 228.01552858 161.0
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