CID 131350665

1-bromo-2-(bromomethyl)-5-chloro-4-nitrobenzene

Structural Information

Molecular Formula
C7H4Br2ClNO2
SMILES
C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Br)CBr
InChI
InChI=1S/C7H4Br2ClNO2/c8-3-4-1-7(11(12)13)6(10)2-5(4)9/h1-2H,3H2
InChIKey
FWIQGYQPRXPVNS-UHFFFAOYSA-N
Compound name
1-bromo-2-(bromomethyl)-5-chloro-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.82974 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.83702 150.2
[M+Na]+ 349.81896 162.4
[M-H]- 325.82246 157.2
[M+NH4]+ 344.86356 168.8
[M+K]+ 365.79290 142.4
[M+H-H2O]+ 309.82700 161.7
[M+HCOO]- 371.82794 164.2
[M+CH3COO]- 385.84359 201.9
[M+Na-2H]- 347.80441 157.2
[M]+ 326.82919 185.9
[M]- 326.83029 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.