CID 10561643

2-(bromomethyl)-4-fluoro-1-nitrobenzene

Structural Information

Molecular Formula
C7H5BrFNO2
SMILES
C1=CC(=C(C=C1F)CBr)[N+](=O)[O-]
InChI
InChI=1S/C7H5BrFNO2/c8-4-5-3-6(9)1-2-7(5)10(11)12/h1-3H,4H2
InChIKey
ZODQWFPDKBKNTF-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-fluoro-1-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

232.94878 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.956056 139.9
[M+Na]+ 255.937998 151.9
[M-H]- 231.941504 145.5
[M+NH4]+ 250.982603 161.0
[M+K]+ 271.911938 137.4
[M+H-H2O]+ 215.946040 143.4
[M+HCOO]- 277.946981 162.6
[M+CH3COO]- 291.962631 182.3
[M+Na-2H]- 253.923446 148.5
[M]+ 232.94823142 157.0
[M]- 232.94932858 157.0
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