CID 72213138

2-(2-bromoethyl)-1,1-difluorocyclopropane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1C(C1(F)F)CCBr
InChI
InChI=1S/C5H7BrF2/c6-2-1-4-3-5(4,7)8/h4H,1-3H2
InChIKey
GPGGLHYJEHBQQJ-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-1,1-difluorocyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

183.96992 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97720 127.8
[M+Na]+ 206.95914 142.2
[M-H]- 182.96264 133.3
[M+NH4]+ 202.00374 148.7
[M+K]+ 222.93308 131.9
[M+H-H2O]+ 166.96718 127.5
[M+HCOO]- 228.96812 147.7
[M+CH3COO]- 242.98377 183.1
[M+Na-2H]- 204.94459 136.2
[M]+ 183.96937 146.0
[M]- 183.97047 146.0
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