CID 4712671

1,2-dichloro-1,1,2-trifluoro-4-iodobutane

Structural Information

Molecular Formula
C4H4Cl2F3I
SMILES
C(CI)C(C(F)(F)Cl)(F)Cl
InChI
InChI=1S/C4H4Cl2F3I/c5-3(7,1-2-10)4(6,8)9/h1-2H2
InChIKey
UKUOPLZDHNKUBO-UHFFFAOYSA-N
Compound name
1,2-dichloro-1,1,2-trifluoro-4-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

305.86868 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.87596 135.3
[M+Na]+ 328.85790 138.3
[M-H]- 304.86140 125.5
[M+NH4]+ 323.90250 151.1
[M+K]+ 344.83184 139.7
[M+H-H2O]+ 288.86594 127.5
[M+HCOO]- 350.86688 139.9
[M+CH3COO]- 364.88253 190.4
[M+Na-2H]- 326.84335 130.1
[M]+ 305.86813 131.8
[M]- 305.86923 131.8
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