CID 53439113

345893-27-8

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

CC(C)(C)OC(=O)NC1=CC(=C(C=C1)Cl)O

InChI

InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)13-7-4-5-8(12)9(14)6-7/h4-6,14H,1-3H3,(H,13,15)

InChIKey

BWJHNIPKQFCYIS-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-chloro-3-hydroxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 243.06622 Da
Monoisotopic Mass: 3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe