CID 165900107

3-(3-bromopropyl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C7H11BrF2
SMILES
C1C(CC1(F)F)CCCBr
InChI
InChI=1S/C7H11BrF2/c8-3-1-2-6-4-7(9,10)5-6/h6H,1-5H2
InChIKey
MCCGSOPJQLYFLO-UHFFFAOYSA-N
Compound name
3-(3-bromopropyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.00122 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.00850 131.6
[M+Na]+ 234.99044 142.2
[M-H]- 210.99394 135.7
[M+NH4]+ 230.03504 150.0
[M+K]+ 250.96438 134.5
[M+H-H2O]+ 194.99848 127.9
[M+HCOO]- 256.99942 149.4
[M+CH3COO]- 271.01507 188.1
[M+Na-2H]- 232.97589 138.7
[M]+ 212.00067 155.0
[M]- 212.00177 155.0
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

No patent data available for this compound.