CID 28398

5-chlorobenzoxazole

Structural Information

Molecular Formula
C7H4ClNO
SMILES
C1=CC2=C(C=C1Cl)N=CO2
InChI
InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKey
VWMQXAYLHOSRKA-UHFFFAOYSA-N
Compound name
5-chloro-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2762
Patents

152.99814 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.005416 123.5
[M+Na]+ 175.987358 136.0
[M-H]- 151.990864 128.1
[M+NH4]+ 171.031963 146.1
[M+K]+ 191.961298 133.3
[M+H-H2O]+ 135.995400 118.5
[M+HCOO]- 197.996341 144.1
[M+CH3COO]- 212.011991 139.4
[M+Na-2H]- 173.972806 133.9
[M]+ 152.99759142 128.5
[M]- 152.99868858 128.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe