CID 10679554

1-bromo-3-methoxy-5-methylbenzene

Structural Information

Molecular Formula
C8H9BrO
SMILES
CC1=CC(=CC(=C1)Br)OC
InChI
InChI=1S/C8H9BrO/c1-6-3-7(9)5-8(4-6)10-2/h3-5H,1-2H3
InChIKey
AOEVRCZZWJWKPG-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxy-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

318
Patents

199.98367 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.990946 132.0
[M+Na]+ 222.972888 144.8
[M-H]- 198.976394 139.0
[M+NH4]+ 218.017493 155.4
[M+K]+ 238.946828 134.7
[M+H-H2O]+ 182.980930 132.9
[M+HCOO]- 244.981871 154.6
[M+CH3COO]- 258.997521 183.2
[M+Na-2H]- 220.958336 140.5
[M]+ 199.98312142 152.3
[M]- 199.98421858 152.3
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