CID 117050

71173-81-4

Structural Information

Molecular Formula
C11H9ClN2O3
SMILES
CN1C(=O)C2=C(C1=O)C(=CC=C2)N(C)C(=O)Cl
InChI
InChI=1S/C11H9ClN2O3/c1-13(11(12)17)7-5-3-4-6-8(7)10(16)14(2)9(6)15/h3-5H,1-2H3
InChIKey
MTSOAQJOFMUHQI-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-methyl-1,3-dioxoisoindol-4-yl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.03017 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03745 150.4
[M+Na]+ 275.01939 162.3
[M+NH4]+ 270.06399 157.7
[M+K]+ 290.99333 159.0
[M-H]- 251.02289 151.2
[M+Na-2H]- 273.00484 154.1
[M]+ 252.02962 152.3
[M]- 252.03072 152.3
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

patents stripe