CID 2758747

680618-06-8

Structural Information

Molecular Formula
C15H13ClFNO4S
SMILES
CCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)Cl
InChI
InChI=1S/C15H13ClFNO4S/c1-2-22-13-8-7-12(9-14(13)23(16,20)21)18-15(19)10-3-5-11(17)6-4-10/h3-9H,2H2,1H3,(H,18,19)
InChIKey
GUVYIEGBMBTXFV-UHFFFAOYSA-N
Compound name
2-ethoxy-5-[(4-fluorobenzoyl)amino]benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.02377 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03105 174.7
[M+Na]+ 380.01299 183.8
[M-H]- 356.01649 180.8
[M+NH4]+ 375.05759 188.6
[M+K]+ 395.98693 178.2
[M+H-H2O]+ 340.02103 167.3
[M+HCOO]- 402.02197 187.8
[M+CH3COO]- 416.03762 210.0
[M+Na-2H]- 377.99844 177.0
[M]+ 357.02322 180.3
[M]- 357.02432 180.3
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.