CID 2761402

2-(bromomethyl)-1,1-difluorocyclopropane

Structural Information

Molecular Formula
C4H5BrF2
SMILES
C1C(C1(F)F)CBr
InChI
InChI=1S/C4H5BrF2/c5-2-3-1-4(3,6)7/h3H,1-2H2
InChIKey
TUDJNSKRXIUOAJ-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-1,1-difluorocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

583
Patents

169.95427 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.961546 123.5
[M+Na]+ 192.943488 138.3
[M-H]- 168.946994 129.2
[M+NH4]+ 187.988093 144.9
[M+K]+ 208.917428 128.2
[M+H-H2O]+ 152.951530 123.4
[M+HCOO]- 214.952471 143.7
[M+CH3COO]- 228.968121 180.4
[M+Na-2H]- 190.928936 132.5
[M]+ 169.95372142 141.4
[M]- 169.95481858 141.4
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