CID 77969

Methylphenylcarbamoyl chloride

Structural Information

Molecular Formula
C8H8ClNO
SMILES
CN(C1=CC=CC=C1)C(=O)Cl
InChI
InChI=1S/C8H8ClNO/c1-10(8(9)11)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey
CPGWSLFYXMRNDV-UHFFFAOYSA-N
Compound name
N-methyl-N-phenylcarbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1252
Patents

169.02943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03671 131.9
[M+Na]+ 192.01865 140.0
[M-H]- 168.02215 137.1
[M+NH4]+ 187.06325 153.5
[M+K]+ 207.99259 138.0
[M+H-H2O]+ 152.02669 126.9
[M+HCOO]- 214.02763 153.3
[M+CH3COO]- 228.04328 181.8
[M+Na-2H]- 190.00410 138.6
[M]+ 169.02888 134.1
[M]- 169.02998 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe