CID 2554520

1-bromo-4-(chloromethyl)-2,5-dimethoxybenzene

Structural Information

Molecular Formula
C9H10BrClO2
SMILES
COC1=CC(=C(C=C1CCl)OC)Br
InChI
InChI=1S/C9H10BrClO2/c1-12-8-4-7(10)9(13-2)3-6(8)5-11/h3-4H,5H2,1-2H3
InChIKey
ZGTYJTIRVMKQPE-UHFFFAOYSA-N
Compound name
1-bromo-4-(chloromethyl)-2,5-dimethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.95526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.96254 143.7
[M+Na]+ 286.94448 157.8
[M-H]- 262.94798 150.6
[M+NH4]+ 281.98908 165.7
[M+K]+ 302.91842 145.8
[M+H-H2O]+ 246.95252 144.9
[M+HCOO]- 308.95346 161.7
[M+CH3COO]- 322.96911 192.5
[M+Na-2H]- 284.92993 150.6
[M]+ 263.95471 167.7
[M]- 263.95581 167.7
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