CID 167728616

En300-6973217

Structural Information

Molecular Formula
C12H15Br2NO2
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)CBr)Br
InChI
InChI=1S/C12H15Br2NO2/c1-12(2,3)17-11(16)15-10-5-8(7-13)4-9(14)6-10/h4-6H,7H2,1-3H3,(H,15,16)
InChIKey
UETFAOZBPUFNEN-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-bromo-5-(bromomethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.94696 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.95424 161.3
[M+Na]+ 385.93618 170.6
[M-H]- 361.93968 167.7
[M+NH4]+ 380.98078 178.2
[M+K]+ 401.91012 154.8
[M+H-H2O]+ 345.94422 167.8
[M+HCOO]- 407.94516 175.8
[M+CH3COO]- 421.96081 213.9
[M+Na-2H]- 383.92163 166.3
[M]+ 362.94641 196.0
[M]- 362.94751 196.0
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.