CID 3734371

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

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

0
References

311
Patents

151.04333 Da
Monoisotopic Mass

0.9
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