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 148.3
[M+Na]+ 265.98583 163.4
[M+NH4]+ 261.03043 156.6
[M+K]+ 281.95977 158.0
[M-H]- 241.98933 152.6
[M+Na-2H]- 263.97128 155.9
[M]+ 242.99606 152.2
[M]- 242.99716 152.2
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.