CID 82277281

7-fluoro-3-methyl-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C9H10FN
SMILES
CC1CNC2=C1C=CC=C2F
InChI
InChI=1S/C9H10FN/c1-6-5-11-9-7(6)3-2-4-8(9)10/h2-4,6,11H,5H2,1H3
InChIKey
VVXOPSCUROFPIF-UHFFFAOYSA-N
Compound name
7-fluoro-3-methyl-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

151.07973 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08701 128.8
[M+Na]+ 174.06895 138.2
[M-H]- 150.07245 129.7
[M+NH4]+ 169.11355 151.3
[M+K]+ 190.04289 134.4
[M+H-H2O]+ 134.07699 122.5
[M+HCOO]- 196.07793 148.8
[M+CH3COO]- 210.09358 142.4
[M+Na-2H]- 172.05440 134.3
[M]+ 151.07918 125.2
[M]- 151.08028 125.2
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.