CID 154575257

2-(3-bromo-4-fluorophenyl)-2-methyloxetane

Structural Information

Molecular Formula
C10H10BrFO
SMILES
CC1(CCO1)C2=CC(=C(C=C2)F)Br
InChI
InChI=1S/C10H10BrFO/c1-10(4-5-13-10)7-2-3-9(12)8(11)6-7/h2-3,6H,4-5H2,1H3
InChIKey
BTRDHHZXGFRKIF-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-fluorophenyl)-2-methyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.98991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.99719 134.2
[M+Na]+ 266.97913 145.6
[M-H]- 242.98263 143.3
[M+NH4]+ 262.02373 150.4
[M+K]+ 282.95307 139.2
[M+H-H2O]+ 226.98717 130.4
[M+HCOO]- 288.98811 153.1
[M+CH3COO]- 303.00376 192.1
[M+Na-2H]- 264.96458 143.2
[M]+ 243.98936 160.1
[M]- 243.99046 160.1
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.