CID 84717573

1-bromo-2-(difluoromethoxy)ethane

Structural Information

Molecular Formula
C3H5BrF2O
SMILES
C(CBr)OC(F)F
InChI
InChI=1S/C3H5BrF2O/c4-1-2-7-3(5)6/h3H,1-2H2
InChIKey
OCQUJZKDKBEBIN-UHFFFAOYSA-N
Compound name
1-bromo-2-(difluoromethoxy)ethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

173.94917 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.95645 126.6
[M+Na]+ 196.93839 138.2
[M-H]- 172.94189 127.4
[M+NH4]+ 191.98299 150.2
[M+K]+ 212.91233 128.9
[M+H-H2O]+ 156.94643 126.0
[M+HCOO]- 218.94737 146.0
[M+CH3COO]- 232.96302 177.5
[M+Na-2H]- 194.92384 133.7
[M]+ 173.94862 143.4
[M]- 173.94972 143.4
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