CID 45142224

930790-62-8

Structural Information

Molecular Formula
C10H12FN
SMILES
CC1(CNC2=C1C=CC(=C2)F)C
InChI
InChI=1S/C10H12FN/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,12H,6H2,1-2H3
InChIKey
DBOCDDQLMXSTPI-UHFFFAOYSA-N
Compound name
6-fluoro-3,3-dimethyl-1,2-dihydroindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

165.09538 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.102656 133.1
[M+Na]+ 188.084598 143.1
[M-H]- 164.088104 134.2
[M+NH4]+ 183.129203 157.1
[M+K]+ 204.058538 139.1
[M+H-H2O]+ 148.092640 127.2
[M+HCOO]- 210.093581 152.8
[M+CH3COO]- 224.109231 146.7
[M+Na-2H]- 186.070046 139.0
[M]+ 165.09483142 130.1
[M]- 165.09592858 130.1
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

patents stripe