CID 3041370

1,3,4-oxadiazole-2-methanol, 5-(3,4-dichlorophenyl)-

Structural Information

Molecular Formula
C9H6Cl2N2O2
SMILES
C1=CC(=C(C=C1C2=NN=C(O2)CO)Cl)Cl
InChI
InChI=1S/C9H6Cl2N2O2/c10-6-2-1-5(3-7(6)11)9-13-12-8(4-14)15-9/h1-3,14H,4H2
InChIKey
PMGFUMGGHUYEEU-UHFFFAOYSA-N
Compound name
[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.98064 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98792 146.8
[M+Na]+ 266.96986 158.7
[M-H]- 242.97336 150.2
[M+NH4]+ 262.01446 162.9
[M+K]+ 282.94380 154.0
[M+H-H2O]+ 226.97790 140.2
[M+HCOO]- 288.97884 158.8
[M+CH3COO]- 302.99449 159.7
[M+Na-2H]- 264.95531 151.4
[M]+ 243.98009 151.4
[M]- 243.98119 151.4
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