CID 165605981

4-(bromomethyl)-4-(difluoromethyl)oxane

Structural Information

Molecular Formula
C7H11BrF2O
SMILES
C1COCCC1(CBr)C(F)F
InChI
InChI=1S/C7H11BrF2O/c8-5-7(6(9)10)1-3-11-4-2-7/h6H,1-5H2
InChIKey
CJITVDLHSJRICO-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-4-(difluoromethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.99612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.00340 143.6
[M+Na]+ 250.98534 152.7
[M-H]- 226.98884 147.3
[M+NH4]+ 246.02994 165.5
[M+K]+ 266.95928 144.1
[M+H-H2O]+ 210.99338 143.2
[M+HCOO]- 272.99432 158.5
[M+CH3COO]- 287.00997 184.7
[M+Na-2H]- 248.97079 150.1
[M]+ 227.99557 156.8
[M]- 227.99667 156.8
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.