CID 135429929

Nsc620299

Structural Information

Molecular Formula
C13H9FN4O7S
SMILES
C1=CC(=CC=C1F)S(=O)(=O)N/N=C/C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C13H9FN4O7S/c14-9-1-3-11(4-2-9)26(24,25)16-15-7-8-5-10(17(20)21)6-12(13(8)19)18(22)23/h1-7,16,19H/b15-7+
InChIKey
ZVJHJBWCLSDDOX-VIZOYTHASA-N
Compound name
4-fluoro-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.0176 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.02488 175.9
[M+Na]+ 407.00682 179.8
[M-H]- 383.01032 181.0
[M+NH4]+ 402.05142 184.1
[M+K]+ 422.98076 167.4
[M+H-H2O]+ 367.01486 174.6
[M+HCOO]- 429.01580 196.0
[M+CH3COO]- 443.03145 205.8
[M+Na-2H]- 404.99227 185.4
[M]+ 384.01705 172.4
[M]- 384.01815 172.4
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

patents stripe