CID 69547594

1-bromo-4-(difluoromethoxy)-2-methylbenzene

Structural Information

Molecular Formula
C8H7BrF2O
SMILES
CC1=C(C=CC(=C1)OC(F)F)Br
InChI
InChI=1S/C8H7BrF2O/c1-5-4-6(12-8(10)11)2-3-7(5)9/h2-4,8H,1H3
InChIKey
GXUXVIMMCHNFNW-UHFFFAOYSA-N
Compound name
1-bromo-4-(difluoromethoxy)-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

235.96483 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.97211 145.5
[M+Na]+ 258.95405 148.2
[M+NH4]+ 253.99865 149.6
[M+K]+ 274.92799 147.7
[M-H]- 234.95755 143.8
[M+Na-2H]- 256.93950 147.9
[M]+ 235.96428 144.1
[M]- 235.96538 144.1
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

patents stripe