CID 131188048

1805177-78-9

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]+ 267.91708 144.9
[M+Na]+ 289.89902 158.4
[M-H]- 265.90252 150.5
[M+NH4]+ 284.94362 165.7
[M+K]+ 305.87296 142.0
[M+H-H2O]+ 249.90706 149.5
[M+HCOO]- 311.90800 163.2
[M+CH3COO]- 325.92365 186.9
[M+Na-2H]- 287.88447 152.4
[M]+ 266.90925 164.2
[M]- 266.91035 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.