CID 58623083

3,3-difluoro-1-iodobutane

Structural Information

Molecular Formula
C4H7F2I
SMILES
CC(CCI)(F)F
InChI
InChI=1S/C4H7F2I/c1-4(5,6)2-3-7/h2-3H2,1H3
InChIKey
NHZVZGZKSCSFDB-UHFFFAOYSA-N
Compound name
3,3-difluoro-1-iodobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

219.95605 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.96333 127.3
[M+Na]+ 242.94527 128.7
[M-H]- 218.94877 118.9
[M+NH4]+ 237.98987 145.2
[M+K]+ 258.91921 134.0
[M+H-H2O]+ 202.95331 118.6
[M+HCOO]- 264.95425 143.0
[M+CH3COO]- 278.96990 179.2
[M+Na-2H]- 240.93072 122.3
[M]+ 219.95550 122.8
[M]- 219.95660 122.8
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