CID 139026464

2-bromo-1,3-bis(difluoromethoxy)-5-methylbenzene

Structural Information

Molecular Formula
C9H7BrF4O2
SMILES
CC1=CC(=C(C(=C1)OC(F)F)Br)OC(F)F
InChI
InChI=1S/C9H7BrF4O2/c1-4-2-5(15-8(11)12)7(10)6(3-4)16-9(13)14/h2-3,8-9H,1H3
InChIKey
AUBMKNNKOQXYFG-UHFFFAOYSA-N
Compound name
2-bromo-1,3-bis(difluoromethoxy)-5-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.95654 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.96382 155.9
[M+Na]+ 324.94576 168.4
[M-H]- 300.94926 157.6
[M+NH4]+ 319.99036 174.9
[M+K]+ 340.91970 157.5
[M+H-H2O]+ 284.95380 152.5
[M+HCOO]- 346.95474 172.2
[M+CH3COO]- 360.97039 200.9
[M+Na-2H]- 322.93121 157.7
[M]+ 301.95599 172.1
[M]- 301.95709 172.1
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.