CID 9568690

15945-16-1

Structural Information

Molecular Formula
C7H6Cl2N2O
SMILES
COC\1=C/C(=N/Cl)/C=C/C1=N\Cl
InChI
InChI=1S/C7H6Cl2N2O/c1-12-7-4-5(10-8)2-3-6(7)11-9/h2-4H,1H3/b10-5+,11-6+
InChIKey
SWPHLJNFOOCNJH-YOYBCKCWSA-N
Compound name
1-N,4-N-dichloro-2-methoxycyclohexa-2,5-diene-1,4-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.98572 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.99300 139.2
[M+Na]+ 226.97494 149.2
[M-H]- 202.97844 145.1
[M+NH4]+ 222.01954 160.6
[M+K]+ 242.94888 145.5
[M+H-H2O]+ 186.98298 134.6
[M+HCOO]- 248.98392 158.8
[M+CH3COO]- 262.99957 190.3
[M+Na-2H]- 224.96039 146.0
[M]+ 203.98517 142.8
[M]- 203.98627 142.8
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

No patent data available for this compound.