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]+ 186.01164 132.7
[M+Na]+ 207.99358 144.4
[M-H]- 183.99708 133.9
[M+NH4]+ 203.03818 154.8
[M+K]+ 223.96752 138.9
[M+H-H2O]+ 168.00162 127.3
[M+HCOO]- 230.00256 148.8
[M+CH3COO]- 244.01821 146.5
[M+Na-2H]- 205.97903 137.5
[M]+ 185.00381 131.7
[M]- 185.00491 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.