CID 66545168

Tert-butyl n-(3-iodo-5-nitrophenyl)carbamate

Structural Information

Molecular Formula
C11H13IN2O4
SMILES
CC(C)(C)OC(=O)NC1=CC(=CC(=C1)I)[N+](=O)[O-]
InChI
InChI=1S/C11H13IN2O4/c1-11(2,3)18-10(15)13-8-4-7(12)5-9(6-8)14(16)17/h4-6H,1-3H3,(H,13,15)
InChIKey
WYGVIKBMRWQNJH-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-iodo-5-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.992 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.99928 174.8
[M+Na]+ 386.98122 174.1
[M-H]- 362.98472 171.9
[M+NH4]+ 382.02582 186.1
[M+K]+ 402.95516 175.0
[M+H-H2O]+ 346.98926 169.2
[M+HCOO]- 408.99020 193.2
[M+CH3COO]- 423.00585 198.6
[M+Na-2H]- 384.96667 168.5
[M]+ 363.99145 172.2
[M]- 363.99255 172.2
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.