CID 165935814

2680536-30-3

Structural Information

Molecular Formula
C7H11BrF2O
SMILES
COC1(CC(C1)CBr)C(F)F
InChI
InChI=1S/C7H11BrF2O/c1-11-7(6(9)10)2-5(3-7)4-8/h5-6H,2-4H2,1H3
InChIKey
ZCCNGOWFHAUPFZ-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-1-(difluoromethyl)-1-methoxycyclobutane
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 136.0
[M+Na]+ 250.98534 146.1
[M-H]- 226.98884 140.0
[M+NH4]+ 246.02994 153.6
[M+K]+ 266.95928 139.2
[M+H-H2O]+ 210.99338 131.9
[M+HCOO]- 272.99432 153.0
[M+CH3COO]- 287.00997 190.5
[M+Na-2H]- 248.97079 141.7
[M]+ 227.99557 160.1
[M]- 227.99667 160.1
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.