CID 24721641

2-bromo-4-nitro(trifluoromethoxy)benzene

Structural Information

Molecular Formula

C₇H₃BrF₃NO₃

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])Br)OC(F)(F)F

InChI

InChI=1S/C7H3BrF3NO3/c8-5-3-4(12(13)14)1-2-6(5)15-7(9,10)11/h1-3H

InChIKey

LVTAFGFYMLODQP-UHFFFAOYSA-N

Compound name

2-bromo-4-nitro-1-(trifluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 284.92484 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.93212	150.0
[M+Na]+	307.91406	162.3
[M-H]-	283.91756	153.2
[M+NH4]+	302.95866	168.9
[M+K]+	323.88800	147.7
[M+H-H2O]+	267.92210	151.9
[M+HCOO]-	329.92304	169.3
[M+CH3COO]-	343.93869	188.9
[M+Na-2H]-	305.89951	158.3
[M]+	284.92429	165.3
[M]-	284.92539	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe