CID 117050

Carbamic chloride, (2,3-dihydro-2-methyl-1,3-dioxo-1h-isoindol-4-yl)methyl-

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]+ 253.037446 150.9
[M+Na]+ 275.019388 161.9
[M-H]- 251.022894 156.4
[M+NH4]+ 270.063993 171.3
[M+K]+ 290.993328 158.8
[M+H-H2O]+ 235.027430 145.6
[M+HCOO]- 297.028371 169.8
[M+CH3COO]- 311.044021 198.3
[M+Na-2H]- 273.004836 153.2
[M]+ 252.02962142 155.8
[M]- 252.03071858 155.8
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