CID 93175

Dansyl fluoride

Structural Information

Molecular Formula

C₁₂H₁₂FNO₂S

SMILES

CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)F

InChI

InChI=1S/C12H12FNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3

InChIKey

JMHHECQPPFEVMU-UHFFFAOYSA-N

Compound name

5-(dimethylamino)naphthalene-1-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 11
References: 1274
Patents: 253.05728 Da
Monoisotopic Mass: 3.2
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]+	254.06456	150.6
[M+Na]+	276.04650	160.1
[M-H]-	252.05000	155.7
[M+NH4]+	271.09110	169.9
[M+K]+	292.02044	157.0
[M+H-H2O]+	236.05454	143.5
[M+HCOO]-	298.05548	168.4
[M+CH3COO]-	312.07113	197.6
[M+Na-2H]-	274.03195	156.2
[M]+	253.05673	153.8
[M]-	253.05783	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe