CID 91667580

Kt2rt2hh65

Structural Information

Molecular Formula
C12H9FN2
SMILES
CN1C2=C(C=C(C=C2)F)C3=C1C=NC=C3
InChI
InChI=1S/C12H9FN2/c1-15-11-3-2-8(13)6-10(11)9-4-5-14-7-12(9)15/h2-7H,1H3
InChIKey
ZKCQFUOLWYLCFK-UHFFFAOYSA-N
Compound name
6-fluoro-9-methylpyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

36
Patents

200.07498 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08226 139.6
[M+Na]+ 223.06420 152.6
[M-H]- 199.06770 142.4
[M+NH4]+ 218.10880 160.8
[M+K]+ 239.03814 147.4
[M+H-H2O]+ 183.07224 131.6
[M+HCOO]- 245.07318 161.5
[M+CH3COO]- 259.08883 153.9
[M+Na-2H]- 221.04965 147.8
[M]+ 200.07443 141.5
[M]- 200.07553 141.5
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