CID 3731013

6-fluoro-2,3-dihydro-1h-indol-2-one

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

472
Patents

151.04333 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.050606 126.2
[M+Na]+ 174.032548 136.2
[M-H]- 150.036054 127.2
[M+NH4]+ 169.077153 148.5
[M+K]+ 190.006488 132.6
[M+H-H2O]+ 134.040590 120.0
[M+HCOO]- 196.041531 146.9
[M+CH3COO]- 210.057181 172.1
[M+Na-2H]- 172.017996 132.2
[M]+ 151.04278142 122.9
[M]- 151.04387858 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