CID 142431904

138149-96-9

Structural Information

Molecular Formula
C10H7N3O4S
SMILES
CS/C(=N\[N+](=O)[O-])/N1C(=O)C2=CC=CC=C2C1=O
InChI
InChI=1S/C10H7N3O4S/c1-18-10(11-13(16)17)12-8(14)6-4-2-3-5-7(6)9(12)15/h2-5H,1H3/b11-10-
InChIKey
LVRHKKSAXKLFDG-KHPPLWFESA-N
Compound name
methyl (2Z)-N-nitro-1,3-dioxoisoindole-2-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

265.01572 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.022996 154.3
[M+Na]+ 288.004938 162.4
[M-H]- 264.008444 159.5
[M+NH4]+ 283.049543 172.4
[M+K]+ 303.978878 155.8
[M+H-H2O]+ 248.012980 152.4
[M+HCOO]- 310.013921 174.5
[M+CH3COO]- 324.029571 190.7
[M+Na-2H]- 285.990386 158.8
[M]+ 265.01517142 155.6
[M]- 265.01626858 155.6
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