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]+ 223.994276 138.9
[M+Na]+ 245.976218 150.4
[M-H]- 221.979724 142.1
[M+NH4]+ 241.020823 158.7
[M+K]+ 261.950158 145.4
[M+H-H2O]+ 205.984260 134.1
[M+HCOO]- 267.985201 152.7
[M+CH3COO]- 282.000851 186.0
[M+Na-2H]- 243.961666 141.9
[M]+ 222.98645142 141.3
[M]- 222.98754858 141.3
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.