CID 32839

2-chloroethyl n-(1-naphthyl)carbamate

Structural Information

Molecular Formula
C13H12ClNO2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)OCCCl
InChI
InChI=1S/C13H12ClNO2/c14-8-9-17-13(16)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,16)
InChIKey
BHDGESYSXSAAFK-UHFFFAOYSA-N
Compound name
2-chloroethyl N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

249.05565 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06293 152.3
[M+Na]+ 272.04487 160.4
[M-H]- 248.04837 156.6
[M+NH4]+ 267.08947 171.2
[M+K]+ 288.01881 155.8
[M+H-H2O]+ 232.05291 146.5
[M+HCOO]- 294.05385 171.6
[M+CH3COO]- 308.06950 193.3
[M+Na-2H]- 270.03032 159.6
[M]+ 249.05510 155.7
[M]- 249.05620 155.7
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.