CID 23445472

4-bromo-3-methylisoxazole

Structural Information

Molecular Formula

SMILES

CC1=NOC=C1Br

InChI

InChI=1S/C4H4BrNO/c1-3-4(5)2-7-6-3/h2H,1H3

InChIKey

NXUGSYBTPQHKQB-UHFFFAOYSA-N

Compound name

4-bromo-3-methyl-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 160.94763 Da
Monoisotopic Mass: 1.5
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]+	161.95491	126.4
[M+Na]+	183.93685	129.8
[M+NH4]+	178.98145	131.6
[M+K]+	199.91079	132.0
[M-H]-	159.94035	127.3
[M+Na-2H]-	181.92230	129.4
[M]+	160.94708	125.9
[M]-	160.94818	125.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe