CID 99770399

3-bromo-4-methoxy-5-nitrobenzyl bromide

Structural Information

Molecular Formula
C8H7Br2NO3
SMILES
COC1=C(C=C(C=C1Br)CBr)[N+](=O)[O-]
InChI
InChI=1S/C8H7Br2NO3/c1-14-8-6(10)2-5(4-9)3-7(8)11(12)13/h2-3H,4H2,1H3
InChIKey
LBFGFQJFTYLZMZ-UHFFFAOYSA-N
Compound name
1-bromo-5-(bromomethyl)-2-methoxy-3-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.87927 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.88655 150.4
[M+Na]+ 345.86849 161.2
[M-H]- 321.87199 157.4
[M+NH4]+ 340.91309 168.3
[M+K]+ 361.84243 143.0
[M+H-H2O]+ 305.87653 160.7
[M+HCOO]- 367.87747 167.9
[M+CH3COO]- 381.89312 202.8
[M+Na-2H]- 343.85394 157.5
[M]+ 322.87872 185.9
[M]- 322.87982 185.9
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.