CID 18759634

Chlorprocarb

Structural Information

Molecular Formula
C13H17ClN2O4
SMILES
CCC(CCl)NC(=O)OC1=CC=CC(=C1)NC(=O)OC
InChI
InChI=1S/C13H17ClN2O4/c1-3-9(8-14)15-13(18)20-11-6-4-5-10(7-11)16-12(17)19-2/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H,16,17)
InChIKey
CYDCAYZRTPOUJJ-UHFFFAOYSA-N
Compound name
[3-(methoxycarbonylamino)phenyl] N-(1-chlorobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4461
Patents

300.08768 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09496 167.2
[M+Na]+ 323.07690 172.7
[M-H]- 299.08040 170.6
[M+NH4]+ 318.12150 182.6
[M+K]+ 339.05084 170.4
[M+H-H2O]+ 283.08494 160.9
[M+HCOO]- 345.08588 186.5
[M+CH3COO]- 359.10153 204.7
[M+Na-2H]- 321.06235 169.2
[M]+ 300.08713 171.8
[M]- 300.08823 171.8
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