CID 129498201

2173998-96-2

Structural Information

Molecular Formula
C5H7BrF2
SMILES
C[C@@H]1[C@H](C1(F)F)CBr
InChI
InChI=1S/C5H7BrF2/c1-3-4(2-6)5(3,7)8/h3-4H,2H2,1H3/t3-,4-/m1/s1
InChIKey
DEXKNCFRHYBDIL-QWWZWVQMSA-N
Compound name
(2R,3R)-2-(bromomethyl)-1,1-difluoro-3-methylcyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.96992 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.97720 126.7
[M+Na]+ 206.95914 141.8
[M-H]- 182.96264 132.5
[M+NH4]+ 202.00374 147.8
[M+K]+ 222.93308 131.4
[M+H-H2O]+ 166.96718 126.6
[M+HCOO]- 228.96812 146.5
[M+CH3COO]- 242.98377 184.0
[M+Na-2H]- 204.94459 134.6
[M]+ 183.96937 145.2
[M]- 183.97047 145.2
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

No patent data available for this compound.