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

41
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

literature stripe

Patent stripe

patents stripe