CID 3054380

Scs 140

Structural Information

Molecular Formula
C10H11BrN2O3
SMILES
CCOC(=O)N(C1=CC(=CC=C1)Br)C(=O)N
InChI
InChI=1S/C10H11BrN2O3/c1-2-16-10(15)13(9(12)14)8-5-3-4-7(11)6-8/h3-6H,2H2,1H3,(H2,12,14)
InChIKey
NYCSDKZTPBDZGE-UHFFFAOYSA-N
Compound name
ethyl N-(3-bromophenyl)-N-carbamoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9953 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00258 154.3
[M+Na]+ 308.98452 163.3
[M-H]- 284.98802 161.1
[M+NH4]+ 304.02912 173.1
[M+K]+ 324.95846 153.8
[M+H-H2O]+ 268.99256 152.1
[M+HCOO]- 330.99350 176.5
[M+CH3COO]- 345.00915 201.5
[M+Na-2H]- 306.96997 158.3
[M]+ 285.99475 173.1
[M]- 285.99585 173.1
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

No patent data available for this compound.