CID 117915

27060-75-9

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

952
Patents

199.98367 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe