CID 68170633

Tert-butyln-[2-fluoro-3-(hydroxymethyl)phenyl]carbamate

Structural Information

Molecular Formula
C12H16FNO3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1F)CO
InChI
InChI=1S/C12H16FNO3/c1-12(2,3)17-11(16)14-9-6-4-5-8(7-15)10(9)13/h4-6,15H,7H2,1-3H3,(H,14,16)
InChIKey
RZJZHBBFSWVWJU-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-fluoro-3-(hydroxymethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.11142 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.118696 153.2
[M+Na]+ 264.100638 160.5
[M-H]- 240.104144 154.6
[M+NH4]+ 259.145243 170.3
[M+K]+ 280.074578 158.5
[M+H-H2O]+ 224.108680 146.7
[M+HCOO]- 286.109621 173.6
[M+CH3COO]- 300.125271 192.2
[M+Na-2H]- 262.086086 157.2
[M]+ 241.11087142 153.4
[M]- 241.11196858 153.4
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