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 149.6
[M+Na]+ 309.92410 166.9
[M-H]- 285.92760 157.4
[M+NH4]+ 304.96870 171.2
[M+K]+ 325.89804 154.4
[M+H-H2O]+ 269.93214 150.7
[M+HCOO]- 331.93308 167.5
[M+CH3COO]- 345.94873 194.6
[M+Na-2H]- 307.90955 157.2
[M]+ 286.93433 175.0
[M]- 286.93543 175.0
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.