CID 43145500

1-(1-bromoethyl)-4-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C9H9BrF2O
SMILES
CC(C1=CC=C(C=C1)OC(F)F)Br
InChI
InChI=1S/C9H9BrF2O/c1-6(10)7-2-4-8(5-3-7)13-9(11)12/h2-6,9H,1H3
InChIKey
ZXVUIFFRJULZMX-UHFFFAOYSA-N
Compound name
1-(1-bromoethyl)-4-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

249.98048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.987756 146.8
[M+Na]+ 272.969698 157.7
[M-H]- 248.973204 150.6
[M+NH4]+ 268.014303 167.5
[M+K]+ 288.943638 147.2
[M+H-H2O]+ 232.977740 145.3
[M+HCOO]- 294.978681 165.0
[M+CH3COO]- 308.994331 191.6
[M+Na-2H]- 270.955146 151.3
[M]+ 249.97993142 163.4
[M]- 249.98102858 163.4
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