CID 9571273

Nsc637080

Structural Information

Molecular Formula
C16H12FN3O4S
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C/C=N/NS(=O)(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H12FN3O4S/c17-11-5-7-12(8-6-11)25(23,24)19-18-9-10-20-15(21)13-3-1-2-4-14(13)16(20)22/h1-9,19H,10H2/b18-9+
InChIKey
OJPMFUFIACSIAA-GIJQJNRQSA-N
Compound name
N-[(E)-2-(1,3-dioxoisoindol-2-yl)ethylideneamino]-4-fluorobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.05325 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.06053 179.2
[M+Na]+ 384.04247 188.8
[M-H]- 360.04597 186.2
[M+NH4]+ 379.08707 193.8
[M+K]+ 400.01641 183.5
[M+H-H2O]+ 344.05051 170.7
[M+HCOO]- 406.05145 198.2
[M+CH3COO]- 420.06710 216.3
[M+Na-2H]- 382.02792 183.0
[M]+ 361.05270 182.7
[M]- 361.05380 182.7
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.