CID 45747

63967-12-4

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CCCCNC(=O)OC(COC1=CC=CC=C1)CCl
InChI
InChI=1S/C14H20ClNO3/c1-2-3-9-16-14(17)19-13(10-15)11-18-12-7-5-4-6-8-12/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)
InChIKey
PATSIPKNBMUWOF-UHFFFAOYSA-N
Compound name
(1-chloro-3-phenoxypropan-2-yl) N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.120436 166.2
[M+Na]+ 308.102378 171.1
[M-H]- 284.105884 168.8
[M+NH4]+ 303.146983 182.3
[M+K]+ 324.076318 167.9
[M+H-H2O]+ 268.110420 159.7
[M+HCOO]- 330.111361 184.6
[M+CH3COO]- 344.127011 200.5
[M+Na-2H]- 306.087826 169.1
[M]+ 285.11261142 171.5
[M]- 285.11370858 171.5
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.