CID 16073

Chlorbufam

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC(C#C)OC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H10ClNO2/c1-3-8(2)15-11(14)13-10-6-4-5-9(12)7-10/h1,4-8H,2H3,(H,13,14)
InChIKey
ULBXWWGWDPVHAO-UHFFFAOYSA-N
Compound name
but-3-yn-2-yl N-(3-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1
References

9952
Patents

223.04001 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.047286 149.4
[M+Na]+ 246.029228 159.5
[M-H]- 222.032734 151.6
[M+NH4]+ 241.073833 166.3
[M+K]+ 262.003168 154.5
[M+H-H2O]+ 206.037270 138.4
[M+HCOO]- 268.038211 163.3
[M+CH3COO]- 282.053861 196.3
[M+Na-2H]- 244.014676 152.2
[M]+ 223.03946142 146.1
[M]- 223.04055858 146.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe