CID 103693653

1-(bromomethyl)-5-fluoro-2-methyl-3-nitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.96442 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.97170 144.0
[M+Na]+ 269.95364 156.5
[M-H]- 245.95714 149.8
[M+NH4]+ 264.99824 164.8
[M+K]+ 285.92758 141.7
[M+H-H2O]+ 229.96168 147.5
[M+HCOO]- 291.96262 166.4
[M+CH3COO]- 305.97827 186.1
[M+Na-2H]- 267.93909 151.4
[M]+ 246.96387 161.7
[M]- 246.96497 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

patents stripe