CID 145072

Ethyl 3-chloro-4-methylcarbanilate

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CCOC(=O)NC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C10H12ClNO2/c1-3-14-10(13)12-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H,12,13)
InChIKey
KJEXITNRKHKKBH-UHFFFAOYSA-N
Compound name
ethyl N-(3-chloro-4-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

213.05565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 143.9
[M+Na]+ 236.04487 152.8
[M-H]- 212.04837 148.0
[M+NH4]+ 231.08947 163.8
[M+K]+ 252.01881 149.6
[M+H-H2O]+ 196.05291 139.0
[M+HCOO]- 258.05385 164.4
[M+CH3COO]- 272.06950 187.9
[M+Na-2H]- 234.03032 148.8
[M]+ 213.05510 147.6
[M]- 213.05620 147.6
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