CID 75365437

1-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)benzene

Structural Information

Molecular Formula
C8H4BrF5O
SMILES
C1=CC(=C(C=C1C(F)(F)F)OC(F)F)Br
InChI
InChI=1S/C8H4BrF5O/c9-5-2-1-4(8(12,13)14)3-6(5)15-7(10)11/h1-3,7H
InChIKey
BSRSUBVCEBLPAX-UHFFFAOYSA-N
Compound name
1-bromo-2-(difluoromethoxy)-4-(trifluoromethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

289.93658 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.943856 153.8
[M+Na]+ 312.925798 166.8
[M-H]- 288.929304 154.4
[M+NH4]+ 307.970403 173.1
[M+K]+ 328.899738 155.1
[M+H-H2O]+ 272.933840 150.2
[M+HCOO]- 334.934781 168.6
[M+CH3COO]- 348.950431 196.8
[M+Na-2H]- 310.911246 157.8
[M]+ 289.93603142 166.7
[M]- 289.93712858 166.7
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