CID 130116119

Tert-butyl n-[(3-bromo-5-chlorophenyl)methyl]carbamate

Structural Information

Molecular Formula
C12H15BrClNO2
SMILES
CC(C)(C)OC(=O)NCC1=CC(=CC(=C1)Br)Cl
InChI
InChI=1S/C12H15BrClNO2/c1-12(2,3)17-11(16)15-7-8-4-9(13)6-10(14)5-8/h4-6H,7H2,1-3H3,(H,15,16)
InChIKey
NJDLMKSDZIIJFT-UHFFFAOYSA-N
Compound name
tert-butyl N-[(3-bromo-5-chlorophenyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.99747 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00475 163.1
[M+Na]+ 341.98669 174.8
[M-H]- 317.99019 169.5
[M+NH4]+ 337.03129 182.5
[M+K]+ 357.96063 161.9
[M+H-H2O]+ 301.99473 163.4
[M+HCOO]- 363.99567 178.8
[M+CH3COO]- 378.01132 202.7
[M+Na-2H]- 339.97214 168.6
[M]+ 318.99692 185.1
[M]- 318.99802 185.1
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

patents stripe