CID 12636413

Refchem:1097974

Structural Information

Molecular Formula
C5H8Cl2
SMILES
C1C[C@H]([C@@H](C1)Cl)Cl
InChI
InChI=1S/C5H8Cl2/c6-4-2-1-3-5(4)7/h4-5H,1-3H2/t4-,5-/m1/s1
InChIKey
QPIRTTQWLDPXBN-RFZPGFLSSA-N
Compound name
trans-(1R,2R)-1,2-dichlorocyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

138.0003 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.00758 126.7
[M+Na]+ 160.98952 135.6
[M-H]- 136.99302 129.2
[M+NH4]+ 156.03412 151.2
[M+K]+ 176.96346 131.6
[M+H-H2O]+ 120.99756 123.5
[M+HCOO]- 182.99850 140.3
[M+CH3COO]- 197.01415 170.4
[M+Na-2H]- 158.97497 130.4
[M]+ 137.99975 125.7
[M]- 138.00085 125.7
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