CID 131188048

1-bromo-4-(chloromethyl)-2-fluoro-5-nitrobenzene

Structural Information

Molecular Formula
C7H4BrClFNO2
SMILES
C1=C(C(=CC(=C1F)Br)[N+](=O)[O-])CCl
InChI
InChI=1S/C7H4BrClFNO2/c8-5-2-7(11(12)13)4(3-9)1-6(5)10/h1-2H,3H2
InChIKey
JVQWMMSRMAHAHM-UHFFFAOYSA-N
Compound name
1-bromo-4-(chloromethyl)-2-fluoro-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9098 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.917076 144.9
[M+Na]+ 289.899018 158.4
[M-H]- 265.902524 150.5
[M+NH4]+ 284.943623 165.7
[M+K]+ 305.872958 142.0
[M+H-H2O]+ 249.907060 149.5
[M+HCOO]- 311.908001 163.2
[M+CH3COO]- 325.923651 186.9
[M+Na-2H]- 287.884466 152.4
[M]+ 266.90925142 164.2
[M]- 266.91034858 164.2
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.