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

6
Patents

241.11142 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11870 153.2
[M+Na]+ 264.10064 160.5
[M-H]- 240.10414 154.6
[M+NH4]+ 259.14524 170.3
[M+K]+ 280.07458 158.5
[M+H-H2O]+ 224.10868 146.7
[M+HCOO]- 286.10962 173.6
[M+CH3COO]- 300.12527 192.2
[M+Na-2H]- 262.08609 157.2
[M]+ 241.11087 153.4
[M]- 241.11197 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

No patent data available for this compound.