CID 129959697

1261476-12-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.96483 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.972106 140.7
[M+Na]+ 258.954048 153.2
[M-H]- 234.957554 145.0
[M+NH4]+ 253.998653 162.4
[M+K]+ 274.927988 142.5
[M+H-H2O]+ 218.962090 139.5
[M+HCOO]- 280.963031 160.2
[M+CH3COO]- 294.978681 189.1
[M+Na-2H]- 256.939496 146.4
[M]+ 235.96428142 158.0
[M]- 235.96537858 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

No patent data available for this compound.