CID 10827289

165806-95-1

Structural Information

Molecular Formula
C15H12FNO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(C2=CC=C(C=C2)F)[N+]#[C-]
InChI
InChI=1S/C15H12FNO2S/c1-11-3-9-14(10-4-11)20(18,19)15(17-2)12-5-7-13(16)8-6-12/h3-10,15H,1H3
InChIKey
UXCQPEDHCCJBNL-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)-isocyanomethyl]sulfonyl-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

294
Patents

289.05728 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.06456 157.1
[M+Na]+ 312.04650 170.8
[M+NH4]+ 307.09110 161.6
[M+K]+ 328.02044 161.2
[M-H]- 288.05000 152.7
[M+Na-2H]- 310.03195 162.1
[M]+ 289.05673 157.5
[M]- 289.05783 157.5
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

patents stripe