CID 3041368

54014-09-4

Structural Information

Molecular Formula
C9H7FN2O2
SMILES
C1=CC(=CC=C1C2=NN=C(O2)CO)F
InChI
InChI=1S/C9H7FN2O2/c10-7-3-1-6(2-4-7)9-12-11-8(5-13)14-9/h1-4,13H,5H2
InChIKey
JYOQFQRZPKMZNH-UHFFFAOYSA-N
Compound name
[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.04915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.05643 136.2
[M+Na]+ 217.03837 146.5
[M-H]- 193.04187 139.1
[M+NH4]+ 212.08297 152.9
[M+K]+ 233.01231 144.3
[M+H-H2O]+ 177.04641 127.9
[M+HCOO]- 239.04735 157.4
[M+CH3COO]- 253.06300 178.7
[M+Na-2H]- 215.02382 142.6
[M]+ 194.04860 136.6
[M]- 194.04970 136.6
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