CID 19093458

1,3-dibromo-5-(dimethoxymethyl)benzene

Structural Information

Molecular Formula
C9H10Br2O2
SMILES
COC(C1=CC(=CC(=C1)Br)Br)OC
InChI
InChI=1S/C9H10Br2O2/c1-12-9(13-2)6-3-7(10)5-8(11)4-6/h3-5,9H,1-2H3
InChIKey
QONDTXWLYJSIIB-UHFFFAOYSA-N
Compound name
1,3-dibromo-5-(dimethoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

307.90475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.91203 143.3
[M+Na]+ 330.89397 154.1
[M-H]- 306.89747 150.2
[M+NH4]+ 325.93857 162.3
[M+K]+ 346.86791 139.7
[M+H-H2O]+ 290.90201 151.2
[M+HCOO]- 352.90295 159.3
[M+CH3COO]- 366.91860 205.3
[M+Na-2H]- 328.87942 149.6
[M]+ 307.90420 179.3
[M]- 307.90530 179.3
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