CID 53416026

3-(bromomethyl)-1,1-difluorocyclobutane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1C(CC1(F)F)CBr
InChI
InChI=1S/C5H7BrF2/c6-3-4-1-5(7,8)2-4/h4H,1-3H2
InChIKey
CAVNVGJESLKKME-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1,1-difluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

245
Patents

183.96992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.977196 122.2
[M+Na]+ 206.959138 133.7
[M-H]- 182.962644 126.7
[M+NH4]+ 202.003743 141.7
[M+K]+ 222.933078 126.4
[M+H-H2O]+ 166.967180 118.9
[M+HCOO]- 228.968121 140.7
[M+CH3COO]- 242.983771 182.6
[M+Na-2H]- 204.944586 130.4
[M]+ 183.96937142 145.0
[M]- 183.97046858 145.0
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

patents stripe