CID 30326

20844-82-0

Structural Information

Molecular Formula
C10H7BrClNO2
SMILES
C=CCN1C2=CC(=C(C=C2OC1=O)Br)Cl
InChI
InChI=1S/C10H7BrClNO2/c1-2-3-13-8-5-7(12)6(11)4-9(8)15-10(13)14/h2,4-5H,1,3H2
InChIKey
XTFSRQUWJKWEBF-UHFFFAOYSA-N
Compound name
6-bromo-5-chloro-3-prop-2-enyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.93488 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.94216 152.6
[M+Na]+ 309.92410 158.8
[M+NH4]+ 304.96870 157.4
[M+K]+ 325.89804 159.0
[M-H]- 285.92760 153.8
[M+Na-2H]- 307.90955 155.0
[M]+ 286.93433 153.0
[M]- 286.93543 153.0
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

No patent data available for this compound.