CID 79019760

Tert-butyl (4-amino-3-fluorophenyl)carbamate

Structural Information

Molecular Formula
C11H15FN2O2
SMILES
CC(C)(C)OC(=O)NC1=CC(=C(C=C1)N)F
InChI
InChI=1S/C11H15FN2O2/c1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7/h4-6H,13H2,1-3H3,(H,14,15)
InChIKey
ADNHDGQFYNVNQZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-amino-3-fluorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

226.11176 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11904 149.8
[M+Na]+ 249.10098 157.2
[M-H]- 225.10448 152.2
[M+NH4]+ 244.14558 167.7
[M+K]+ 265.07492 155.4
[M+H-H2O]+ 209.10902 143.0
[M+HCOO]- 271.10996 172.2
[M+CH3COO]- 285.12561 194.0
[M+Na-2H]- 247.08643 154.0
[M]+ 226.11121 148.3
[M]- 226.11231 148.3
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