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

1
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

patents stripe