CID 11358

2-bromoanisole

Structural Information

Molecular Formula
C7H7BrO
SMILES
COC1=CC=CC=C1Br
InChI
InChI=1S/C7H7BrO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
HTDQSWDEWGSAMN-UHFFFAOYSA-N
Compound name
1-bromo-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

6476
Patents

185.96803 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.97531 128.2
[M+Na]+ 208.95725 140.5
[M-H]- 184.96075 134.9
[M+NH4]+ 204.00185 151.8
[M+K]+ 224.93119 130.7
[M+H-H2O]+ 168.96529 129.0
[M+HCOO]- 230.96623 151.1
[M+CH3COO]- 244.98188 179.3
[M+Na-2H]- 206.94270 137.8
[M]+ 185.96748 147.7
[M]- 185.96858 147.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe