CID 3731012

5-fluoro-1,3-dihydroindol-2-one

Structural Information

Molecular Formula
C8H6FNO
SMILES
C1C2=C(C=CC(=C2)F)NC1=O
InChI
InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
DDIIYGHHUMKDGI-UHFFFAOYSA-N
Compound name
5-fluoro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1075
Patents

151.04333 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.05061 126.2
[M+Na]+ 174.03255 136.2
[M-H]- 150.03605 127.2
[M+NH4]+ 169.07715 148.5
[M+K]+ 190.00649 132.6
[M+H-H2O]+ 134.04059 120.0
[M+HCOO]- 196.04153 146.9
[M+CH3COO]- 210.05718 172.1
[M+Na-2H]- 172.01800 132.2
[M]+ 151.04278 122.9
[M]- 151.04388 122.9
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