CID 154699608

Ns00117364

Structural Information

Molecular Formula
C16H11F3N2O7S
SMILES
CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NO)F)NOS(=O)(=O)O)F
InChI
InChI=1S/C16H11F3N2O7S/c1-6-13(18)15(21-28-29(24,25)26)12-10(22)5-11(27-16(12)14(6)19)7-2-3-9(20-23)8(17)4-7/h2-5,20-21,23H,1H3,(H,24,25,26)
InChIKey
GECZFGWGPXYRIH-UHFFFAOYSA-N
Compound name
[[6,8-difluoro-2-[3-fluoro-4-(hydroxyamino)phenyl]-7-methyl-4-oxochromen-5-yl]amino] hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

432.0239 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.03118 190.1
[M+Na]+ 455.01312 200.8
[M-H]- 431.01662 193.3
[M+NH4]+ 450.05772 198.2
[M+K]+ 470.98706 197.0
[M+H-H2O]+ 415.02116 179.5
[M+HCOO]- 477.02210 203.0
[M+CH3COO]- 491.03775 227.9
[M+Na-2H]- 452.99857 193.8
[M]+ 432.02335 193.7
[M]- 432.02445 193.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.