CID 3016065

39263-33-7

Structural Information

Molecular Formula
C10H10ClN3
SMILES
CN(C)C=NC1=C(C=C(C=C1)Cl)C#N
InChI
InChI=1S/C10H10ClN3/c1-14(2)7-13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3
InChIKey
MHRWOIFPYHVBPV-UHFFFAOYSA-N
Compound name
N'-(4-chloro-2-cyanophenyl)-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

207.05632 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.063596 147.0
[M+Na]+ 230.045538 157.7
[M-H]- 206.049044 152.7
[M+NH4]+ 225.090143 165.7
[M+K]+ 246.019478 154.2
[M+H-H2O]+ 190.053580 134.7
[M+HCOO]- 252.054521 167.0
[M+CH3COO]- 266.070171 206.7
[M+Na-2H]- 228.030986 152.2
[M]+ 207.05577142 145.3
[M]- 207.05686858 145.3
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