CID 16772622

4-cyclopropaneamido-2-fluorobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C10H9ClFNO3S
SMILES
C1CC1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)Cl)F
InChI
InChI=1S/C10H9ClFNO3S/c11-17(15,16)9-4-3-7(5-8(9)12)13-10(14)6-1-2-6/h3-6H,1-2H2,(H,13,14)
InChIKey
HBCPWRUZQDEUDP-UHFFFAOYSA-N
Compound name
4-(cyclopropanecarbonylamino)-2-fluorobenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.99756 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.00484 146.3
[M+Na]+ 299.98678 156.7
[M-H]- 275.99028 152.9
[M+NH4]+ 295.03138 158.8
[M+K]+ 315.96072 151.0
[M+H-H2O]+ 259.99482 140.1
[M+HCOO]- 321.99576 160.0
[M+CH3COO]- 336.01141 197.1
[M+Na-2H]- 297.97223 149.7
[M]+ 276.99701 151.7
[M]- 276.99811 151.7
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.