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

8
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 152.4
[M+Na]+ 262.02415 162.4
[M-H]- 238.02765 153.3
[M+NH4]+ 257.06875 168.2
[M+K]+ 277.99809 156.9
[M+H-H2O]+ 222.03219 141.4
[M+HCOO]- 284.03313 166.1
[M+CH3COO]- 298.04878 193.9
[M+Na-2H]- 260.00960 155.9
[M]+ 239.03438 149.2
[M]- 239.03548 149.2
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