CID 66914856

4-fluoro-5-nitro-2,3-dihydro-1h-indole

Structural Information

Molecular Formula
C8H7FN2O2
SMILES
C1CNC2=C1C(=C(C=C2)[N+](=O)[O-])F
InChI
InChI=1S/C8H7FN2O2/c9-8-5-3-4-10-6(5)1-2-7(8)11(12)13/h1-2,10H,3-4H2
InChIKey
IZJPDEDMUHMSKG-UHFFFAOYSA-N
Compound name
4-fluoro-5-nitro-2,3-dihydro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

182.04915 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.05643 132.4
[M+Na]+ 205.03837 140.6
[M-H]- 181.04187 133.4
[M+NH4]+ 200.08297 152.5
[M+K]+ 221.01231 133.4
[M+H-H2O]+ 165.04641 130.5
[M+HCOO]- 227.04735 153.9
[M+CH3COO]- 241.06300 172.2
[M+Na-2H]- 203.02382 139.9
[M]+ 182.04860 127.3
[M]- 182.04970 127.3
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