CID 119014557

1-bromo-4-(difluoromethyl)-2-nitrobenzene

Structural Information

Molecular Formula
C7H4BrF2NO2
SMILES
C1=CC(=C(C=C1C(F)F)[N+](=O)[O-])Br
InChI
InChI=1S/C7H4BrF2NO2/c8-5-2-1-4(7(9)10)3-6(5)11(12)13/h1-3,7H
InChIKey
ZSKLYQJCOWESJR-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethyl)-2-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

250.93935 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.94663 143.5
[M+Na]+ 273.92857 155.2
[M-H]- 249.93207 147.8
[M+NH4]+ 268.97317 163.6
[M+K]+ 289.90251 140.6
[M+H-H2O]+ 233.93661 146.1
[M+HCOO]- 295.93755 164.2
[M+CH3COO]- 309.95320 185.5
[M+Na-2H]- 271.91402 150.2
[M]+ 250.93880 158.8
[M]- 250.93990 158.8
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