CID 816790

2,4-dibromo-1-methoxy-3,5-dimethylbenzene

Structural Information

Molecular Formula
C9H10Br2O
SMILES
CC1=CC(=C(C(=C1Br)C)Br)OC
InChI
InChI=1S/C9H10Br2O/c1-5-4-7(12-3)9(11)6(2)8(5)10/h4H,1-3H3
InChIKey
KTCIMCOZFMPVQR-UHFFFAOYSA-N
Compound name
2,4-dibromo-1-methoxy-3,5-dimethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.90985 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.91713 146.6
[M+Na]+ 314.89907 142.8
[M+NH4]+ 309.94367 149.0
[M+K]+ 330.87301 148.7
[M-H]- 290.90257 147.8
[M+Na-2H]- 312.88452 148.4
[M]+ 291.90930 145.4
[M]- 291.91040 145.4
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

No patent data available for this compound.