CID 58167

Niosh/ed6250000

Structural Information

Molecular Formula
C10H10Cl8
SMILES
C1C2C(C(C(C1(Cl)Cl)(C2(CCl)C(Cl)Cl)CCl)Cl)Cl
InChI
InChI=1S/C10H10Cl8/c11-2-8(7(15)16)4-1-10(17,18)9(8,3-12)6(14)5(4)13/h4-7H,1-3H2
InChIKey
YNEKMCSWRMRXIR-UHFFFAOYSA-N
Compound name
2,2,5,6-tetrachloro-1,7-bis(chloromethyl)-7-(dichloromethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5322
Patents

409.82907 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.83635 198.1
[M+Na]+ 432.81829 202.8
[M-H]- 408.82179 189.1
[M+NH4]+ 427.86289 211.9
[M+K]+ 448.79223 198.9
[M+H-H2O]+ 392.82633 196.6
[M+HCOO]- 454.82727 178.2
[M+CH3COO]- 468.84292 199.0
[M+Na-2H]- 430.80374 188.9
[M]+ 409.82852 186.6
[M]- 409.82962 186.6
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