CID 10564034

(3-amino-1-benzothien-2-yl)(2-fluorophenyl)methanone

Structural Information

Molecular Formula
C15H10FNOS
SMILES
C1=CC=C2C(=C1)C(=C(S2)C(=O)C3=CC=CC=C3F)N
InChI
InChI=1S/C15H10FNOS/c16-11-7-3-1-5-9(11)14(18)15-13(17)10-6-2-4-8-12(10)19-15/h1-8H,17H2
InChIKey
KMARIJNLFBDMCF-UHFFFAOYSA-N
Compound name
(3-amino-1-benzothiophen-2-yl)-(2-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04672 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05400 157.1
[M+Na]+ 294.03594 168.2
[M-H]- 270.03944 164.4
[M+NH4]+ 289.08054 176.8
[M+K]+ 310.00988 162.2
[M+H-H2O]+ 254.04398 150.1
[M+HCOO]- 316.04492 177.0
[M+CH3COO]- 330.06057 170.4
[M+Na-2H]- 292.02139 159.1
[M]+ 271.04617 158.9
[M]- 271.04727 158.9
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.