CID 3406151

2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene

Structural Information

Molecular Formula
C8H6BrClF2O
SMILES
C1=CC(=C(C=C1Cl)CBr)OC(F)F
InChI
InChI=1S/C8H6BrClF2O/c9-4-5-3-6(10)1-2-7(5)13-8(11)12/h1-3,8H,4H2
InChIKey
LCYMNTIAZDUPTP-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-chloro-1-(difluoromethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

269.92587 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.933146 144.5
[M+Na]+ 292.915088 158.0
[M-H]- 268.918594 148.6
[M+NH4]+ 287.959693 165.7
[M+K]+ 308.889028 145.2
[M+H-H2O]+ 252.923130 144.1
[M+HCOO]- 314.924071 159.7
[M+CH3COO]- 328.939721 192.6
[M+Na-2H]- 290.900536 150.0
[M]+ 269.92532142 163.7
[M]- 269.92641858 163.7
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