CID 134690966

1-(3-bromo-2-methoxypropyl)-4-fluorobenzene

Structural Information

Molecular Formula
C10H12BrFO
SMILES
COC(CC1=CC=C(C=C1)F)CBr
InChI
InChI=1S/C10H12BrFO/c1-13-10(7-11)6-8-2-4-9(12)5-3-8/h2-5,10H,6-7H2,1H3
InChIKey
NPNIAXSAEFMJGM-UHFFFAOYSA-N
Compound name
1-(3-bromo-2-methoxypropyl)-4-fluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.00555 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01283 147.0
[M+Na]+ 268.99477 157.8
[M-H]- 244.99827 151.9
[M+NH4]+ 264.03937 168.1
[M+K]+ 284.96871 147.1
[M+H-H2O]+ 229.00281 146.3
[M+HCOO]- 291.00375 166.9
[M+CH3COO]- 305.01940 191.1
[M+Na-2H]- 266.98022 152.9
[M]+ 246.00500 165.8
[M]- 246.00610 165.8
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