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]+ 312.862496 140.2
[M+Na]+ 334.844438 153.5
[M-H]- 310.847944 147.5
[M+NH4]+ 329.889043 160.3
[M+K]+ 350.818378 136.8
[M+H-H2O]+ 294.852480 149.2
[M+HCOO]- 356.853421 153.5
[M+CH3COO]- 370.869071 204.7
[M+Na-2H]- 332.829886 147.3
[M]+ 311.85467142 177.0
[M]- 311.85576858 177.0
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