CID 52911148

73498-24-5

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C1=CC2=C(C=C1Cl)C(=NO2)N
InChI
InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)7(9)10-11-6/h1-3H,(H2,9,10)
InChIKey
TVQGEMZMXVGMCR-UHFFFAOYSA-N
Compound name
5-chloro-1,2-benzoxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

168.00903 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.016306 128.9
[M+Na]+ 190.998248 141.5
[M-H]- 167.001754 133.3
[M+NH4]+ 186.042853 150.5
[M+K]+ 206.972188 138.2
[M+H-H2O]+ 151.006290 123.7
[M+HCOO]- 213.007231 149.9
[M+CH3COO]- 227.022881 144.3
[M+Na-2H]- 188.983696 137.9
[M]+ 168.00848142 132.6
[M]- 168.00957858 132.6
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