CID 76620

4-hydroxy-2-butynyl (3-chlorophenyl)carbamate

Structural Information

Molecular Formula
C11H10ClNO3
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)OCC#CCO
InChI
InChI=1S/C11H10ClNO3/c12-9-4-3-5-10(8-9)13-11(15)16-7-2-1-6-14/h3-5,8,14H,6-7H2,(H,13,15)
InChIKey
ACYQQFWLJXHFND-UHFFFAOYSA-N
Compound name
4-hydroxybut-2-ynyl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

239.03493 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04221 149.3
[M+Na]+ 262.02415 160.4
[M+NH4]+ 257.06875 152.9
[M+K]+ 277.99809 151.5
[M-H]- 238.02765 142.3
[M+Na-2H]- 260.00960 151.7
[M]+ 239.03438 148.1
[M]- 239.03548 148.1
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