CID 115194849

N-methyl-n-[(naphthalen-1-yl)methyl]carbamoyl chloride

Structural Information

Molecular Formula
C13H12ClNO
SMILES
CN(CC1=CC=CC2=CC=CC=C21)C(=O)Cl
InChI
InChI=1S/C13H12ClNO/c1-15(13(14)16)9-11-7-4-6-10-5-2-3-8-12(10)11/h2-8H,9H2,1H3
InChIKey
QRFISVCTUOUECE-UHFFFAOYSA-N
Compound name
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.06075 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06803 149.2
[M+Na]+ 256.04997 157.4
[M-H]- 232.05347 154.9
[M+NH4]+ 251.09457 169.4
[M+K]+ 272.02391 153.6
[M+H-H2O]+ 216.05801 143.3
[M+HCOO]- 278.05895 168.7
[M+CH3COO]- 292.07460 195.3
[M+Na-2H]- 254.03542 155.7
[M]+ 233.06020 152.5
[M]- 233.06130 152.5
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.