CID 126971223

2-bromo-1-(bromomethyl)-3-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6Br2F2O
SMILES
C1=CC(=C(C(=C1)OC(F)F)Br)CBr
InChI
InChI=1S/C8H6Br2F2O/c9-4-5-2-1-3-6(7(5)10)13-8(11)12/h1-3,8H,4H2
InChIKey
TZNXFWNRTPRNHM-UHFFFAOYSA-N
Compound name
2-bromo-1-(bromomethyl)-3-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.87534 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.88262 146.2
[M+Na]+ 336.86456 157.5
[M-H]- 312.86806 151.1
[M+NH4]+ 331.90916 164.9
[M+K]+ 352.83850 142.1
[M+H-H2O]+ 296.87260 153.0
[M+HCOO]- 358.87354 160.7
[M+CH3COO]- 372.88919 205.7
[M+Na-2H]- 334.85001 151.6
[M]+ 313.87479 178.9
[M]- 313.87589 178.9
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.