CID 141660208

Benzyl n-(2,3-dibromopropyl)carbamate

Structural Information

Molecular Formula
C11H13Br2NO2
SMILES
C1=CC=C(C=C1)COC(=O)NCC(CBr)Br
InChI
InChI=1S/C11H13Br2NO2/c12-6-10(13)7-14-11(15)16-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChIKey
NAEKDGWSHIGNNV-UHFFFAOYSA-N
Compound name
benzyl N-(2,3-dibromopropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

348.9313 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.93858 156.7
[M+Na]+ 371.92052 164.4
[M-H]- 347.92402 162.4
[M+NH4]+ 366.96512 173.4
[M+K]+ 387.89446 148.9
[M+H-H2O]+ 331.92856 162.9
[M+HCOO]- 393.92950 172.0
[M+CH3COO]- 407.94515 210.7
[M+Na-2H]- 369.90597 161.9
[M]+ 348.93075 190.6
[M]- 348.93185 190.6
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