CID 84699828

1-bromo-4-(difluoromethyl)-2-methoxybenzene

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
COC1=C(C=CC(=C1)C(F)F)Br
InChI
InChI=1S/C8H7BrF2O/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,8H,1H3
InChIKey
ZSLWVGCFFVLHBF-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

235.96483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97211 140.7
[M+Na]+ 258.95405 153.2
[M-H]- 234.95755 145.0
[M+NH4]+ 253.99865 162.4
[M+K]+ 274.92799 142.5
[M+H-H2O]+ 218.96209 139.5
[M+HCOO]- 280.96303 160.2
[M+CH3COO]- 294.97868 189.1
[M+Na-2H]- 256.93950 146.4
[M]+ 235.96428 158.0
[M]- 235.96538 158.0
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