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]+ 229.02226 139.4
[M+Na]+ 251.00420 153.1
[M-H]- 227.00770 146.8
[M+NH4]+ 246.04880 162.4
[M+K]+ 266.97814 142.6
[M+H-H2O]+ 211.01224 140.2
[M+HCOO]- 273.01318 161.3
[M+CH3COO]- 287.02883 191.0
[M+Na-2H]- 248.98965 145.6
[M]+ 228.01443 161.0
[M]- 228.01553 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