CID 11088306

210691-38-6

Structural Information

Molecular Formula

C₁₀H₇ClF₃NO₃S

SMILES

C1CN(C2=C1C=C(C=C2)S(=O)(=O)Cl)C(=O)C(F)(F)F

InChI

InChI=1S/C10H7ClF3NO3S/c11-19(17,18)7-1-2-8-6(5-7)3-4-15(8)9(16)10(12,13)14/h1-2,5H,3-4H2

InChIKey

HVXAIGDGDNQFMM-UHFFFAOYSA-N

Compound name

1-(2,2,2-trifluoroacetyl)-2,3-dihydroindole-5-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 312.97873 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.986006	160.1
[M+Na]+	335.967948	171.2
[M-H]-	311.971454	160.3
[M+NH4]+	331.012553	177.9
[M+K]+	351.941888	166.3
[M+H-H2O]+	295.975990	153.6
[M+HCOO]-	357.976931	166.5
[M+CH3COO]-	371.992581	196.6
[M+Na-2H]-	333.953396	162.2
[M]+	312.97818142	161.4
[M]-	312.97927858	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe