CID 656954

Prinaberel

Structural Information

Molecular Formula
C15H10FNO3
SMILES
C=CC1=C2C(=CC(=C1)O)N=C(O2)C3=CC(=C(C=C3)O)F
InChI
InChI=1S/C15H10FNO3/c1-2-8-5-10(18)7-12-14(8)20-15(17-12)9-3-4-13(19)11(16)6-9/h2-7,18-19H,1H2
InChIKey
MQIMZDXIAHJKQP-UHFFFAOYSA-N
Compound name
7-ethenyl-2-(3-fluoro-4-hydroxyphenyl)-1,3-benzoxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

41
References

824
Patents

271.06448 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07176 157.3
[M+Na]+ 294.05370 169.8
[M-H]- 270.05720 162.2
[M+NH4]+ 289.09830 173.2
[M+K]+ 310.02764 164.8
[M+H-H2O]+ 254.06174 149.8
[M+HCOO]- 316.06268 177.8
[M+CH3COO]- 330.07833 170.4
[M+Na-2H]- 292.03915 161.8
[M]+ 271.06393 159.8
[M]- 271.06503 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe