CID 302951

40427-42-7

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CC(C)OC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H12BrNO2/c1-7(2)14-10(13)12-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H,12,13)
InChIKey
MGPOTYUNIPGUIA-UHFFFAOYSA-N
Compound name
propan-2-yl N-(4-bromophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 149.0
[M+Na]+ 279.99435 158.8
[M-H]- 255.99785 155.2
[M+NH4]+ 275.03895 169.2
[M+K]+ 295.96829 148.6
[M+H-H2O]+ 240.00239 148.2
[M+HCOO]- 302.00333 170.2
[M+CH3COO]- 316.01898 193.6
[M+Na-2H]- 277.97980 154.6
[M]+ 257.00458 168.0
[M]- 257.00568 168.0
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.