CID 11790233

2-bromo-3-methoxytoluene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
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

literature stripe

Patent stripe

patents stripe