CID 11790890

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

226.11176 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.119036 149.8
[M+Na]+ 249.100978 157.2
[M-H]- 225.104484 152.2
[M+NH4]+ 244.145583 167.7
[M+K]+ 265.074918 155.4
[M+H-H2O]+ 209.109020 143.0
[M+HCOO]- 271.109961 172.2
[M+CH3COO]- 285.125611 194.0
[M+Na-2H]- 247.086426 154.0
[M]+ 226.11121142 148.3
[M]- 226.11230858 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