CID 23008082

1435803-98-7

Structural Information

Molecular Formula
C9H7Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)C2=NOC(=N2)CN)Cl
InChI
InChI=1S/C9H7Cl2N3O/c10-5-1-2-7(11)6(3-5)9-13-8(4-12)15-14-9/h1-3H,4,12H2
InChIKey
TXLZZRCPLJBBHY-UHFFFAOYSA-N
Compound name
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.99661 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.00389 150.0
[M+Na]+ 265.98583 161.5
[M-H]- 241.98933 154.1
[M+NH4]+ 261.03043 166.2
[M+K]+ 281.95977 156.6
[M+H-H2O]+ 225.99387 142.8
[M+HCOO]- 287.99481 163.6
[M+CH3COO]- 302.01046 162.8
[M+Na-2H]- 263.97128 154.3
[M]+ 242.99606 153.3
[M]- 242.99716 153.3
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.