CID 12512833

16325-38-5

Structural Information

Molecular Formula
C10H4Cl4N2O2
SMILES
C(C1=C(C(=C(C(=C1Cl)Cl)CN=C=O)Cl)Cl)N=C=O
InChI
InChI=1S/C10H4Cl4N2O2/c11-7-5(1-15-3-17)8(12)10(14)6(9(7)13)2-16-4-18/h1-2H2
InChIKey
UXIKMAOGSBQRNJ-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrachloro-3,6-bis(isocyanatomethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

323.90268 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.90996 167.4
[M+Na]+ 346.89190 179.2
[M-H]- 322.89540 170.9
[M+NH4]+ 341.93650 184.0
[M+K]+ 362.86584 173.0
[M+H-H2O]+ 306.89994 164.1
[M+HCOO]- 368.90088 176.3
[M+CH3COO]- 382.91653 212.7
[M+Na-2H]- 344.87735 168.6
[M]+ 323.90213 173.4
[M]- 323.90323 173.4
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