CID 53248764

2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)-3h-indol-3-ol

Structural Information

Molecular Formula
C16H14ClFN2O2
SMILES
CCOC1=C(C=C(C=C1)F)C2(C3=C(C=CC(=C3)Cl)N=C2N)O
InChI
InChI=1S/C16H14ClFN2O2/c1-2-22-14-6-4-10(18)8-12(14)16(21)11-7-9(17)3-5-13(11)20-15(16)19/h3-8,21H,2H2,1H3,(H2,19,20)
InChIKey
AUZAOHTZCMKRJQ-UHFFFAOYSA-N
Compound name
2-amino-5-chloro-3-(2-ethoxy-5-fluorophenyl)indol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

320.07278 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08006 169.9
[M+Na]+ 343.06200 182.0
[M-H]- 319.06550 174.4
[M+NH4]+ 338.10660 188.2
[M+K]+ 359.03594 174.9
[M+H-H2O]+ 303.07004 162.6
[M+HCOO]- 365.07098 186.6
[M+CH3COO]- 379.08663 181.9
[M+Na-2H]- 341.04745 172.9
[M]+ 320.07223 172.7
[M]- 320.07333 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe