CID 2736998

1-(bromomethyl)-2-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
C1=CC=C(C(=C1)CBr)OC(F)F
InChI
InChI=1S/C8H7BrF2O/c9-5-6-3-1-2-4-7(6)12-8(10)11/h1-4,8H,5H2
InChIKey
JSYYKHKAGPBIHF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-2-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

235.96483 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97211 141.5
[M+Na]+ 258.95405 153.1
[M-H]- 234.95755 145.4
[M+NH4]+ 253.99865 162.9
[M+K]+ 274.92799 142.5
[M+H-H2O]+ 218.96209 140.2
[M+HCOO]- 280.96303 161.0
[M+CH3COO]- 294.97868 188.0
[M+Na-2H]- 256.93950 147.8
[M]+ 235.96428 158.5
[M]- 235.96538 158.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe