CID 379746

Nsc664718

Structural Information

Molecular Formula
C18H14ClFN2
SMILES
CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H14ClFN2/c1-11-15-8-9-22(14-5-3-13(20)4-6-14)18(15)16-10-12(19)2-7-17(16)21-11/h2-7,10H,8-9H2,1H3
InChIKey
LOACRZGVRDEQGR-UHFFFAOYSA-N
Compound name
8-chloro-1-(4-fluorophenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.08295 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.09023 172.3
[M+Na]+ 335.07217 184.4
[M-H]- 311.07567 177.2
[M+NH4]+ 330.11677 189.4
[M+K]+ 351.04611 175.9
[M+H-H2O]+ 295.08021 162.6
[M+HCOO]- 357.08115 185.7
[M+CH3COO]- 371.09680 183.8
[M+Na-2H]- 333.05762 175.0
[M]+ 312.08240 173.7
[M]- 312.08350 173.7
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.