CID 84710575

1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene

Structural Information

Molecular Formula
C10H10BrClO
SMILES
C1CC1COC2=C(C(=CC=C2)Br)Cl
InChI
InChI=1S/C10H10BrClO/c11-8-2-1-3-9(10(8)12)13-6-7-4-5-7/h1-3,7H,4-6H2
InChIKey
LUPJDNALLHMUNX-UHFFFAOYSA-N
Compound name
1-bromo-2-chloro-3-(cyclopropylmethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.96036 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.967636 144.2
[M+Na]+ 282.949578 158.7
[M-H]- 258.953084 154.2
[M+NH4]+ 277.994183 161.5
[M+K]+ 298.923518 145.9
[M+H-H2O]+ 242.957620 144.4
[M+HCOO]- 304.958561 162.4
[M+CH3COO]- 318.974211 193.8
[M+Na-2H]- 280.935026 151.6
[M]+ 259.95981142 166.9
[M]- 259.96090858 166.9
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.