CID 167727047

7-chloro-1,2-benzoxazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H4ClNO2
SMILES
C1=CC2=C(C(=C1)Cl)ON=C2C=O
InChI
InChI=1S/C8H4ClNO2/c9-6-3-1-2-5-7(4-11)10-12-8(5)6/h1-4H
InChIKey
LNJZZUMZTMGUPF-UHFFFAOYSA-N
Compound name
7-chloro-1,2-benzoxazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.99306 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.00034 130.2
[M+Na]+ 203.98228 143.5
[M-H]- 179.98578 135.1
[M+NH4]+ 199.02688 151.8
[M+K]+ 219.95622 140.4
[M+H-H2O]+ 163.99032 125.2
[M+HCOO]- 225.99126 150.9
[M+CH3COO]- 240.00691 146.0
[M+Na-2H]- 201.96773 139.4
[M]+ 180.99251 136.7
[M]- 180.99361 136.7
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.