CID 102000395

51775-36-1

Structural Information

Molecular Formula
C10H11Cl7
SMILES
C1[C@H]2[C@H]([C@@H]([C@@](C1(Cl)Cl)(C2(CCl)CCl)CCl)Cl)Cl
InChI
InChI=1S/C10H11Cl7/c11-2-8(3-12)5-1-10(16,17)9(8,4-13)7(15)6(5)14/h5-7H,1-4H2/t5-,6+,7-,9+/m0/s1
InChIKey
IPVMCZLCKVSKGC-VOQBNFLRSA-N
Compound name
(1R,4R,5R,6R)-2,2,5,6-tetrachloro-1,7,7-tris(chloromethyl)bicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

375.86804 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.87532 187.9
[M+Na]+ 398.85726 194.9
[M-H]- 374.86076 181.2
[M+NH4]+ 393.90186 205.2
[M+K]+ 414.83120 189.2
[M+H-H2O]+ 358.86530 186.6
[M+HCOO]- 420.86624 172.7
[M+CH3COO]- 434.88189 191.5
[M+Na-2H]- 396.84271 181.8
[M]+ 375.86749 180.1
[M]- 375.86859 180.1
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.