CID 22034

2-benzoxazolinone, 5-chloro-3-ethyl-

Structural Information

Molecular Formula
C9H8ClNO2
SMILES
CCN1C2=C(C=CC(=C2)Cl)OC1=O
InChI
InChI=1S/C9H8ClNO2/c1-2-11-7-5-6(10)3-4-8(7)13-9(11)12/h3-5H,2H2,1H3
InChIKey
NGNSUTIRTDXXGA-UHFFFAOYSA-N
Compound name
5-chloro-3-ethyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

197.02435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.031626 135.3
[M+Na]+ 220.013568 149.0
[M-H]- 196.017074 140.4
[M+NH4]+ 215.058173 156.7
[M+K]+ 235.987508 145.7
[M+H-H2O]+ 180.021610 130.4
[M+HCOO]- 242.022551 155.6
[M+CH3COO]- 256.038201 181.6
[M+Na-2H]- 217.999016 143.2
[M]+ 197.02380142 142.6
[M]- 197.02489858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe