CID 350130

N-(2-bromo-5-nitrophenyl)formamide

Structural Information

Molecular Formula

C₇H₅BrN₂O₃

SMILES

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

InChI

InChI=1S/C7H5BrN2O3/c8-6-2-1-5(10(12)13)3-7(6)9-4-11/h1-4H,(H,9,11)

InChIKey

ATYLSWFOQJOHCN-UHFFFAOYSA-N

Compound name

N-(2-bromo-5-nitrophenyl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 243.94835 Da
Monoisotopic Mass: 1.6
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]+	244.95563	144.3
[M+Na]+	266.93757	147.5
[M+NH4]+	261.98217	148.4
[M+K]+	282.91151	150.1
[M-H]-	242.94107	145.9
[M+Na-2H]-	264.92302	147.3
[M]+	243.94780	143.8
[M]-	243.94890	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe