CID 9994074

2h-pyran, 2-[2-(2-bromophenyl)ethoxy]tetrahydro-

Structural Information

Molecular Formula
C13H17BrO2
SMILES
C1CCOC(C1)OCCC2=CC=CC=C2Br
InChI
InChI=1S/C13H17BrO2/c14-12-6-2-1-5-11(12)8-10-16-13-7-3-4-9-15-13/h1-2,5-6,13H,3-4,7-10H2
InChIKey
FFIANHVBVFPUHD-UHFFFAOYSA-N
Compound name
2-[2-(2-bromophenyl)ethoxy]oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

284.0412 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04848 159.2
[M+Na]+ 307.03042 167.1
[M-H]- 283.03392 167.8
[M+NH4]+ 302.07502 177.1
[M+K]+ 323.00436 157.8
[M+H-H2O]+ 267.03846 158.4
[M+HCOO]- 329.03940 176.8
[M+CH3COO]- 343.05505 194.8
[M+Na-2H]- 305.01587 165.6
[M]+ 284.04065 176.3
[M]- 284.04175 176.3
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