CID 9790

1,2-dichloro-3,3-difluorobutane

Structural Information

Molecular Formula
C4H6Cl2F2
SMILES
CC(C(CCl)Cl)(F)F
InChI
InChI=1S/C4H6Cl2F2/c1-4(7,8)3(6)2-5/h3H,2H2,1H3
InChIKey
LFLJVJVWIWKUGI-UHFFFAOYSA-N
Compound name
1,2-dichloro-3,3-difluorobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

161.98146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.98874 123.6
[M+Na]+ 184.97068 133.0
[M-H]- 160.97418 121.1
[M+NH4]+ 180.01528 145.6
[M+K]+ 200.94462 129.3
[M+H-H2O]+ 144.97872 120.0
[M+HCOO]- 206.97966 133.9
[M+CH3COO]- 220.99531 176.8
[M+Na-2H]- 182.95613 129.0
[M]+ 161.98091 123.2
[M]- 161.98201 123.2
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