CID 165563230

2168799-15-1

Structural Information

Molecular Formula
C7H7ClFNO2S
SMILES
CC1=CC(=C(C(=C1)S(=O)(=O)F)Cl)N
InChI
InChI=1S/C7H7ClFNO2S/c1-4-2-5(10)7(8)6(3-4)13(9,11)12/h2-3H,10H2,1H3
InChIKey
JOONIVYZKMEAJB-UHFFFAOYSA-N
Compound name
3-amino-2-chloro-5-methylbenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.987 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.99428 142.5
[M+Na]+ 245.97622 154.1
[M+NH4]+ 241.02082 150.0
[M+K]+ 261.95016 147.1
[M-H]- 221.97972 142.5
[M+Na-2H]- 243.96167 147.3
[M]+ 222.98645 144.8
[M]- 222.98755 144.8
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.