CID 11378482

2957-95-1

Structural Information

Molecular Formula
C4H4Cl2
SMILES
C1=C[C@@H]([C@@H]1Cl)Cl
InChI
InChI=1S/C4H4Cl2/c5-3-1-2-4(3)6/h1-4H/t3-,4+
InChIKey
MNOAQNJDZROAPA-ZXZARUISSA-N
Compound name
(3S,4R)-3,4-dichlorocyclobutene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

121.969 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.97628 108.7
[M+Na]+ 144.95822 118.9
[M-H]- 120.96172 112.2
[M+NH4]+ 140.00282 126.5
[M+K]+ 160.93216 117.8
[M+H-H2O]+ 104.96626 102.0
[M+HCOO]- 166.96720 123.9
[M+CH3COO]- 180.98285 172.7
[M+Na-2H]- 142.94367 116.7
[M]+ 121.96845 119.4
[M]- 121.96955 119.4
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