CID 117870300

1-(bromomethyl)-1-(difluoromethyl)cyclopropane

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C1CC1(CBr)C(F)F
InChI
InChI=1S/C5H7BrF2/c6-3-5(1-2-5)4(7)8/h4H,1-3H2
InChIKey
XCDSWMUPTXJTEY-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(difluoromethyl)cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 128.9
[M+Na]+ 206.95914 142.3
[M-H]- 182.96264 134.1
[M+NH4]+ 202.00374 149.4
[M+K]+ 222.93308 132.4
[M+H-H2O]+ 166.96718 128.5
[M+HCOO]- 228.96812 147.9
[M+CH3COO]- 242.98377 182.8
[M+Na-2H]- 204.94459 136.8
[M]+ 183.96937 146.2
[M]- 183.97047 146.2
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