CID 70808995

1241390-29-3

Structural Information

Molecular Formula
C12H10F2N2O2
SMILES
CC1=N/C(=C\C2=CC(=C(C(=C2)F)O)F)/C(=O)N1C
InChI
InChI=1S/C12H10F2N2O2/c1-6-15-10(12(18)16(6)2)5-7-3-8(13)11(17)9(14)4-7/h3-5,17H,1-2H3/b10-5-
InChIKey
ZDDIJYXDUBFLID-YHYXMXQVSA-N
Compound name
(5Z)-5-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2,3-dimethylimidazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

403
Patents

252.07103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07831 151.7
[M+Na]+ 275.06025 163.9
[M-H]- 251.06375 153.4
[M+NH4]+ 270.10485 168.3
[M+K]+ 291.03419 158.6
[M+H-H2O]+ 235.06829 143.1
[M+HCOO]- 297.06923 170.6
[M+CH3COO]- 311.08488 193.4
[M+Na-2H]- 273.04570 151.4
[M]+ 252.07048 150.2
[M]- 252.07158 150.2
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