CID 11976436

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

Structural Information

Molecular Formula
C10H10FNO
SMILES
CC1(C2=C(C(=CC=C2)F)NC1=O)C
InChI
InChI=1S/C10H10FNO/c1-10(2)6-4-3-5-7(11)8(6)12-9(10)13/h3-5H,1-2H3,(H,12,13)
InChIKey
SPKDBPUOKLXGPF-UHFFFAOYSA-N
Compound name
7-fluoro-3,3-dimethyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

179.07465 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08193 134.5
[M+Na]+ 202.06387 145.6
[M-H]- 178.06737 136.0
[M+NH4]+ 197.10847 158.2
[M+K]+ 218.03781 141.6
[M+H-H2O]+ 162.07191 128.9
[M+HCOO]- 224.07285 154.6
[M+CH3COO]- 238.08850 178.9
[M+Na-2H]- 200.04932 139.9
[M]+ 179.07410 132.7
[M]- 179.07520 132.7
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