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

594
Patents

169.95427 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.96155 123.5
[M+Na]+ 192.94349 138.3
[M-H]- 168.94699 129.2
[M+NH4]+ 187.98809 144.9
[M+K]+ 208.91743 128.2
[M+H-H2O]+ 152.95153 123.4
[M+HCOO]- 214.95247 143.7
[M+CH3COO]- 228.96812 180.4
[M+Na-2H]- 190.92894 132.5
[M]+ 169.95372 141.4
[M]- 169.95482 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