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 159.1
[M+Na]+ 324.02059 160.6
[M+NH4]+ 319.06519 162.3
[M+K]+ 339.99453 161.9
[M-H]- 300.02409 158.6
[M+Na-2H]- 322.00604 161.1
[M]+ 301.03082 157.9
[M]- 301.03192 157.9
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