CID 130850786

1803833-24-0

Structural Information

Molecular Formula
C8H7BrFNO2
SMILES
CC1=CC(=C(C=C1[N+](=O)[O-])CBr)F
InChI
InChI=1S/C8H7BrFNO2/c1-5-2-7(10)6(4-9)3-8(5)11(12)13/h2-3H,4H2,1H3
InChIKey
JQPYTKHUFDLKBT-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-fluoro-4-methyl-5-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.96442 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.971696 144.0
[M+Na]+ 269.953638 156.5
[M-H]- 245.957144 149.8
[M+NH4]+ 264.998243 164.8
[M+K]+ 285.927578 141.7
[M+H-H2O]+ 229.961680 147.5
[M+HCOO]- 291.962621 166.4
[M+CH3COO]- 305.978271 186.1
[M+Na-2H]- 267.939086 151.4
[M]+ 246.96387142 161.7
[M]- 246.96496858 161.7
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.