CID 17821712

2-cyano-4-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H3ClFNO2S
SMILES
C1=CC(=C(C=C1F)C#N)S(=O)(=O)Cl
InChI
InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-1-6(9)3-5(7)4-10/h1-3H
InChIKey
KXWBPZIFIFCHHG-UHFFFAOYSA-N
Compound name
2-cyano-4-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

218.9557 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.96298 144.5
[M+Na]+ 241.94492 158.0
[M-H]- 217.94842 148.4
[M+NH4]+ 236.98952 162.9
[M+K]+ 257.91886 153.4
[M+H-H2O]+ 201.95296 133.4
[M+HCOO]- 263.95390 155.4
[M+CH3COO]- 277.96955 194.0
[M+Na-2H]- 239.93037 148.2
[M]+ 218.95515 143.0
[M]- 218.95625 143.0
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