CID 54594742

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

Structural Information

Molecular Formula
C7H3ClFNO2S
SMILES
C1=CC(=C(C=C1C#N)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H3ClFNO2S/c8-13(11,12)7-2-1-5(4-10)3-6(7)9/h1-3H
InChIKey
UYHVZXCIAQVHMY-UHFFFAOYSA-N
Compound name
4-cyano-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

218.9557 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.962976 144.5
[M+Na]+ 241.944918 158.0
[M-H]- 217.948424 148.4
[M+NH4]+ 236.989523 162.9
[M+K]+ 257.918858 153.4
[M+H-H2O]+ 201.952960 133.4
[M+HCOO]- 263.953901 155.4
[M+CH3COO]- 277.969551 194.0
[M+Na-2H]- 239.930366 148.2
[M]+ 218.95515142 143.0
[M]- 218.95624858 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