CID 154584834

B4rz5y4tjo

Structural Information

Molecular Formula
C15H11ClFNO2
SMILES
CC1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=C(C=C3Cl)O)F
InChI
InChI=1S/C15H11ClFNO2/c1-8-2-3-13-9(4-8)5-14(20)18(13)15-11(16)6-10(19)7-12(15)17/h2-4,6-7,19H,5H2,1H3
InChIKey
RVWXBXJNQUDTIJ-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-fluoro-4-hydroxyphenyl)-5-methyl-3H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.04623 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.05351 162.3
[M+Na]+ 314.03545 174.9
[M-H]- 290.03895 167.2
[M+NH4]+ 309.08005 180.5
[M+K]+ 330.00939 167.9
[M+H-H2O]+ 274.04349 155.4
[M+HCOO]- 336.04443 177.6
[M+CH3COO]- 350.06008 175.0
[M+Na-2H]- 312.02090 163.4
[M]+ 291.04568 164.3
[M]- 291.04678 164.3
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

No patent data available for this compound.