CID 131290938

1-bromo-5-(bromomethyl)-2-chloro-4-methoxybenzene

Structural Information

Molecular Formula
C8H7Br2ClO
SMILES
COC1=CC(=C(C=C1CBr)Br)Cl
InChI
InChI=1S/C8H7Br2ClO/c1-12-8-3-7(11)6(10)2-5(8)4-9/h2-3H,4H2,1H3
InChIKey
UYNODHGBOSZGEE-UHFFFAOYSA-N
Compound name
1-bromo-5-(bromomethyl)-2-chloro-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

311.85522 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.86250 149.9
[M+Na]+ 334.84444 146.5
[M+NH4]+ 329.88904 152.5
[M+K]+ 350.81838 151.7
[M-H]- 310.84794 151.0
[M+Na-2H]- 332.82989 151.8
[M]+ 311.85467 148.9
[M]- 311.85577 148.9
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