CID 69324227

1-(bromomethyl)-3,5-dichloro-2-nitrobenzene

Structural Information

Molecular Formula
C7H4BrCl2NO2
SMILES
C1=C(C=C(C(=C1CBr)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C7H4BrCl2NO2/c8-3-4-1-5(9)2-6(10)7(4)11(12)13/h1-2H,3H2
InChIKey
DLCJCQAFRQOIIA-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3,5-dichloro-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

282.88025 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.88753 147.6
[M+Na]+ 305.86947 161.3
[M-H]- 281.87297 153.5
[M+NH4]+ 300.91407 168.1
[M+K]+ 321.84341 144.2
[M+H-H2O]+ 265.87751 153.8
[M+HCOO]- 327.87845 161.9
[M+CH3COO]- 341.89410 188.8
[M+Na-2H]- 303.85492 154.9
[M]+ 282.87970 168.6
[M]- 282.88080 168.6
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