CID 36150

32496-40-5

Structural Information

Molecular Formula
C11H10ClNO2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)OCC#C
InChI
InChI=1S/C11H10ClNO2/c1-3-6-15-11(14)13-10-7-9(12)5-4-8(10)2/h1,4-5,7H,6H2,2H3,(H,13,14)
InChIKey
VFRTXLLPFLJJGO-UHFFFAOYSA-N
Compound name
prop-2-ynyl N-(5-chloro-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04729 144.6
[M+Na]+ 246.02923 157.0
[M+NH4]+ 241.07383 149.0
[M+K]+ 262.00317 147.6
[M-H]- 222.03273 138.6
[M+Na-2H]- 244.01468 147.9
[M]+ 223.03946 144.0
[M]- 223.04056 144.0
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

No patent data available for this compound.