CID 137945409

2287290-02-0

Structural Information

Molecular Formula
C12H12ClFN2
SMILES
CN1C2=C(CNCC2)C3=C1C(=C(C=C3)Cl)F
InChI
InChI=1S/C12H12ClFN2/c1-16-10-4-5-15-6-8(10)7-2-3-9(13)11(14)12(7)16/h2-3,15H,4-6H2,1H3
InChIKey
LBGHUBZUTQGRLH-UHFFFAOYSA-N
Compound name
7-chloro-6-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0673 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07458 148.1
[M+Na]+ 261.05652 162.8
[M+NH4]+ 256.10112 157.5
[M+K]+ 277.03046 156.2
[M-H]- 237.06002 149.2
[M+Na-2H]- 259.04197 153.1
[M]+ 238.06675 150.8
[M]- 238.06785 150.8
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.