CID 42481074

5-chloro-2,1,3-benzoxadiazol-4-amine

Structural Information

Molecular Formula
C6H4ClN3O
SMILES
C1=CC2=NON=C2C(=C1Cl)N
InChI
InChI=1S/C6H4ClN3O/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,8H2
InChIKey
ZSWJSENIQJOSLN-UHFFFAOYSA-N
Compound name
5-chloro-2,1,3-benzoxadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.00429 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01157 128.5
[M+Na]+ 191.99351 141.5
[M-H]- 167.99701 131.6
[M+NH4]+ 187.03811 148.7
[M+K]+ 207.96745 138.4
[M+H-H2O]+ 152.00155 122.4
[M+HCOO]- 214.00249 148.5
[M+CH3COO]- 228.01814 143.6
[M+Na-2H]- 189.97896 137.9
[M]+ 169.00374 132.3
[M]- 169.00484 132.3
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.