CID 4188382

3-(3,4-dichlorophenyl)-1-formyl-1-methylurea

Structural Information

Molecular Formula
C9H8Cl2N2O2
SMILES
CN(C=O)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2N2O2/c1-13(5-14)9(15)12-6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,15)
InChIKey
ZMQCIZFNPLHWDZ-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)carbamoyl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

245.99628 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.00356 149.1
[M+Na]+ 268.98550 158.3
[M-H]- 244.98900 154.0
[M+NH4]+ 264.03010 168.1
[M+K]+ 284.95944 154.5
[M+H-H2O]+ 228.99354 144.6
[M+HCOO]- 290.99448 166.5
[M+CH3COO]- 305.01013 197.0
[M+Na-2H]- 266.97095 153.1
[M]+ 245.99573 153.4
[M]- 245.99683 153.4
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