CID 10608652

55245-86-8

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CN(CC1=CC=C(C=C1)OC)C(=O)Cl
InChI
InChI=1S/C10H12ClNO2/c1-12(10(11)13)7-8-3-5-9(14-2)6-4-8/h3-6H,7H2,1-2H3
InChIKey
JNZGYVRWVDGXKR-UHFFFAOYSA-N
Compound name
N-[(4-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05565 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06293 143.7
[M+Na]+ 236.04487 151.8
[M-H]- 212.04837 148.9
[M+NH4]+ 231.08947 163.8
[M+K]+ 252.01881 149.9
[M+H-H2O]+ 196.05291 138.3
[M+HCOO]- 258.05385 164.7
[M+CH3COO]- 272.06950 190.9
[M+Na-2H]- 234.03032 148.6
[M]+ 213.05510 148.5
[M]- 213.05620 148.5
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.