CID 2757037

4-bromo-2-methoxy-n-boc-aniline

Structural Information

Molecular Formula
C12H16BrNO3
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)Br)OC
InChI
InChI=1S/C12H16BrNO3/c1-12(2,3)17-11(15)14-9-6-5-8(13)7-10(9)16-4/h5-7H,1-4H3,(H,14,15)
InChIKey
LFWHJZGNFWTUIO-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-bromo-2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
Patents

301.03137 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.03865 160.3
[M+Na]+ 324.02059 170.7
[M-H]- 300.02409 166.7
[M+NH4]+ 319.06519 179.3
[M+K]+ 339.99453 160.5
[M+H-H2O]+ 284.02863 159.5
[M+HCOO]- 346.02957 180.5
[M+CH3COO]- 360.04522 201.2
[M+Na-2H]- 322.00604 166.1
[M]+ 301.03082 181.7
[M]- 301.03192 181.7
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