CID 50989437

(2-cyano-4-fluorophenyl)methanesulfonyl chloride

Structural Information

Molecular Formula
C8H5ClFNO2S
SMILES
C1=CC(=C(C=C1F)C#N)CS(=O)(=O)Cl
InChI
InChI=1S/C8H5ClFNO2S/c9-14(12,13)5-6-1-2-8(10)3-7(6)4-11/h1-3H,5H2
InChIKey
AYIKSOJHAKSVFH-UHFFFAOYSA-N
Compound name
(2-cyano-4-fluorophenyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.97136 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97864 148.4
[M+Na]+ 255.96058 161.5
[M-H]- 231.96408 152.1
[M+NH4]+ 251.00518 166.4
[M+K]+ 271.93452 156.7
[M+H-H2O]+ 215.96862 137.2
[M+HCOO]- 277.96956 159.1
[M+CH3COO]- 291.98521 196.7
[M+Na-2H]- 253.94603 151.7
[M]+ 232.97081 147.2
[M]- 232.97191 147.2
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

No patent data available for this compound.