CID 22046

Bromocyl

Structural Information

Molecular Formula

C₇H₆BrNO₃

SMILES

C1=CC(=C(C=C1Br)C(=O)NO)O

InChI

InChI=1S/C7H6BrNO3/c8-4-1-2-6(10)5(3-4)7(11)9-12/h1-3,10,12H,(H,9,11)

InChIKey

RHTIMXFFOVWNLX-UHFFFAOYSA-N

Compound name

5-bromo-N,2-dihydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 289
Patents: 230.95311 Da
Monoisotopic Mass: 2.5
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]+	231.96039	138.0
[M+Na]+	253.94233	148.9
[M-H]-	229.94583	142.1
[M+NH4]+	248.98693	157.9
[M+K]+	269.91627	137.6
[M+H-H2O]+	213.95037	137.7
[M+HCOO]-	275.95131	158.3
[M+CH3COO]-	289.96696	183.4
[M+Na-2H]-	251.92778	144.6
[M]+	230.95256	154.6
[M]-	230.95366	154.6

Literature stripe

literature stripe

Patent stripe

patents stripe