CID 245953

5924-92-5

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
C#CCOC(=O)NC1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO2/c1-2-5-15-10(14)13-9-6-7(11)3-4-8(9)12/h1,3-4,6H,5H2,(H,13,14)
InChIKey
WSUIVVXUHMPXRQ-UHFFFAOYSA-N
Compound name
prop-2-ynyl N-(2,5-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98538 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 149.0
[M+Na]+ 265.97460 161.1
[M-H]- 241.97810 151.1
[M+NH4]+ 261.01920 165.9
[M+K]+ 281.94854 154.5
[M+H-H2O]+ 225.98264 139.3
[M+HCOO]- 287.98358 159.6
[M+CH3COO]- 301.99923 198.0
[M+Na-2H]- 263.96005 152.3
[M]+ 242.98483 147.4
[M]- 242.98593 147.4
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.