CID 2063462

2355-16-0

Structural Information

Molecular Formula

C₇H₇F₃N₂O₂S

SMILES

C1=CC(=C(C=C1S(=O)(=O)C(F)(F)F)N)N

InChI

InChI=1S/C7H7F3N2O2S/c8-7(9,10)15(13,14)4-1-2-5(11)6(12)3-4/h1-3H,11-12H2

InChIKey

XHTLLPJFZIYMHD-UHFFFAOYSA-N

Compound name

4-(trifluoromethylsulfonyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 72
Patents: 240.01804 Da
Monoisotopic Mass: 1.1
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]+	241.02532	143.1
[M+Na]+	263.00726	152.5
[M-H]-	239.01076	142.5
[M+NH4]+	258.05186	160.1
[M+K]+	278.98120	148.3
[M+H-H2O]+	223.01530	134.9
[M+HCOO]-	285.01624	157.9
[M+CH3COO]-	299.03189	190.8
[M+Na-2H]-	260.99271	146.3
[M]+	240.01749	138.2
[M]-	240.01859	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe