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

306
Patents

199.98367 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.99095 132.0
[M+Na]+ 222.97289 144.8
[M-H]- 198.97639 139.0
[M+NH4]+ 218.01749 155.4
[M+K]+ 238.94683 134.7
[M+H-H2O]+ 182.98093 132.9
[M+HCOO]- 244.98187 154.6
[M+CH3COO]- 258.99752 183.2
[M+Na-2H]- 220.95834 140.5
[M]+ 199.98312 152.3
[M]- 199.98422 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