CID 5311330

Ns004

Structural Information

Molecular Formula
C14H8ClF3N2O2
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)Cl)O
InChI
InChI=1S/C14H8ClF3N2O2/c15-8-2-4-12(21)11(6-8)20-10-3-1-7(14(16,17)18)5-9(10)19-13(20)22/h1-6,21H,(H,19,22)
InChIKey
WYLYBVMNGZOYOH-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-hydroxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

101
Patents

328.02264 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.02992 166.9
[M+Na]+ 351.01186 181.0
[M-H]- 327.01536 167.2
[M+NH4]+ 346.05646 181.4
[M+K]+ 366.98580 172.4
[M+H-H2O]+ 311.01990 157.7
[M+HCOO]- 373.02084 178.6
[M+CH3COO]- 387.03649 178.1
[M+Na-2H]- 348.99731 170.3
[M]+ 328.02209 167.0
[M]- 328.02319 167.0
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