CID 816790

2,4-dibromo-1-methoxy-3,5-dimethyl-benzene

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 138.2
[M+Na]+ 314.89907 150.7
[M-H]- 290.90257 145.7
[M+NH4]+ 309.94367 158.3
[M+K]+ 330.87301 135.6
[M+H-H2O]+ 274.90711 146.5
[M+HCOO]- 336.90805 154.8
[M+CH3COO]- 350.92370 205.0
[M+Na-2H]- 312.88452 144.6
[M]+ 291.90930 174.1
[M]- 291.91040 174.1
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.