CID 54121498

Tert-butyl n-(2-chloro-4-hydroxyphenyl)carbamate

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
CC(C)(C)OC(=O)NC1=C(C=C(C=C1)O)Cl
InChI
InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h4-6,14H,1-3H3,(H,13,15)
InChIKey
NNZQCBACLBXJGU-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

243.06622 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.073496 151.8
[M+Na]+ 266.055438 160.2
[M-H]- 242.058944 154.7
[M+NH4]+ 261.100043 169.9
[M+K]+ 282.029378 157.0
[M+H-H2O]+ 226.063480 147.4
[M+HCOO]- 288.064421 169.1
[M+CH3COO]- 302.080071 190.2
[M+Na-2H]- 264.040886 156.5
[M]+ 243.06567142 154.9
[M]- 243.06676858 154.9
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