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]+ 260.96764 144.2
[M+Na]+ 282.94958 158.7
[M-H]- 258.95308 154.2
[M+NH4]+ 277.99418 161.5
[M+K]+ 298.92352 145.9
[M+H-H2O]+ 242.95762 144.4
[M+HCOO]- 304.95856 162.4
[M+CH3COO]- 318.97421 193.8
[M+Na-2H]- 280.93503 151.6
[M]+ 259.95981 166.9
[M]- 259.96091 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.