CID 58270351

1147558-09-5

Structural Information

Molecular Formula

C₉H₁₀FNO₂S

SMILES

C1CC1S(=O)(=O)C2=CC(=C(C=C2)N)F

InChI

InChI=1S/C9H10FNO2S/c10-8-5-7(3-4-9(8)11)14(12,13)6-1-2-6/h3-6H,1-2,11H2

InChIKey

MOTPVTWZOVUFKZ-UHFFFAOYSA-N

Compound name

4-cyclopropylsulfonyl-2-fluoroaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 215.04163 Da
Monoisotopic Mass: 1.2
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]+	216.04891	135.9
[M+Na]+	238.03085	146.5
[M-H]-	214.03435	142.3
[M+NH4]+	233.07545	149.9
[M+K]+	254.00479	141.9
[M+H-H2O]+	198.03889	128.9
[M+HCOO]-	260.03983	154.3
[M+CH3COO]-	274.05548	188.7
[M+Na-2H]-	236.01630	139.9
[M]+	215.04108	138.0
[M]-	215.04218	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe