CID 26609

14290-32-5

Structural Information

Molecular Formula
C16H14Cl2N2O
SMILES
CC1=CC=CC=C1N=C(N(C2=CC=CC=C2C)C(=O)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O/c1-11-7-3-5-9-13(11)19-15(17)20(16(18)21)14-10-6-4-8-12(14)2/h3-10H,1-2H3
InChIKey
XIBQCOLQSDXSCS-UHFFFAOYSA-N
Compound name
N-[C-chloro-N-(2-methylphenyl)carbonimidoyl]-N-(2-methylphenyl)carbamoyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0483 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05558 172.6
[M+Na]+ 343.03752 180.5
[M-H]- 319.04102 181.2
[M+NH4]+ 338.08212 188.9
[M+K]+ 359.01146 175.4
[M+H-H2O]+ 303.04556 165.7
[M+HCOO]- 365.04650 189.3
[M+CH3COO]- 379.06215 214.0
[M+Na-2H]- 341.02297 174.8
[M]+ 320.04775 177.3
[M]- 320.04885 177.3
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