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 138.9
[M+Na]+ 245.97622 150.4
[M-H]- 221.97972 142.1
[M+NH4]+ 241.02082 158.7
[M+K]+ 261.95016 145.4
[M+H-H2O]+ 205.98426 134.1
[M+HCOO]- 267.98520 152.7
[M+CH3COO]- 282.00085 186.0
[M+Na-2H]- 243.96167 141.9
[M]+ 222.98645 141.3
[M]- 222.98755 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.