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 149.9
[M+Na]+ 261.05652 162.0
[M-H]- 237.06002 150.4
[M+NH4]+ 256.10112 169.8
[M+K]+ 277.03046 154.7
[M+H-H2O]+ 221.06456 142.7
[M+HCOO]- 283.06550 162.6
[M+CH3COO]- 297.08115 162.1
[M+Na-2H]- 259.04197 154.2
[M]+ 238.06675 149.4
[M]- 238.06785 149.4
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.