CID 43146697

868271-15-2

Structural Information

Molecular Formula

C₇H₅ClN₂O

SMILES

C1=CC2=C(C(=C1)Cl)C(=NO2)N

InChI

InChI=1S/C7H5ClN2O/c8-4-2-1-3-5-6(4)7(9)10-11-5/h1-3H,(H2,9,10)

InChIKey

IHRBIDHQEMTPAK-UHFFFAOYSA-N

Compound name

4-chloro-1,2-benzoxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 168.00903 Da
Monoisotopic Mass: 2.0
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]+	169.01631	128.9
[M+Na]+	190.99825	141.5
[M-H]-	167.00175	133.3
[M+NH4]+	186.04285	150.5
[M+K]+	206.97219	138.2
[M+H-H2O]+	151.00629	123.7
[M+HCOO]-	213.00723	149.9
[M+CH3COO]-	227.02288	144.3
[M+Na-2H]-	188.98370	137.9
[M]+	168.00848	132.6
[M]-	168.00958	132.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe