CID 138392009

3-cyano-4-fluorobenzene-1-sulfonyl fluoride

Structural Information

Molecular Formula
C7H3F2NO2S
SMILES
C1=CC(=C(C=C1S(=O)(=O)F)C#N)F
InChI
InChI=1S/C7H3F2NO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H
InChIKey
ZIFVVJPZORGMMY-UHFFFAOYSA-N
Compound name
3-cyano-4-fluorobenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.98526 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.99254 139.7
[M+Na]+ 225.97448 152.3
[M-H]- 201.97798 142.1
[M+NH4]+ 221.01908 157.7
[M+K]+ 241.94842 149.2
[M+H-H2O]+ 185.98252 126.7
[M+HCOO]- 247.98346 153.7
[M+CH3COO]- 261.99911 193.0
[M+Na-2H]- 223.95993 143.3
[M]+ 202.98471 135.4
[M]- 202.98581 135.4
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