CID 79603338

4-chloro-7-fluoroindolin-2-one

Structural Information

Molecular Formula
C8H5ClFNO
SMILES
C1C2=C(C=CC(=C2NC1=O)F)Cl
InChI
InChI=1S/C8H5ClFNO/c9-5-1-2-6(10)8-4(5)3-7(12)11-8/h1-2H,3H2,(H,11,12)
InChIKey
DBVZGOGXVMBGMJ-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.00436 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.011636 132.7
[M+Na]+ 207.993578 144.4
[M-H]- 183.997084 133.9
[M+NH4]+ 203.038183 154.8
[M+K]+ 223.967518 138.9
[M+H-H2O]+ 168.001620 127.3
[M+HCOO]- 230.002561 148.8
[M+CH3COO]- 244.018211 146.5
[M+Na-2H]- 205.979026 137.5
[M]+ 185.00381142 131.7
[M]- 185.00490858 131.7
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

No patent data available for this compound.